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Chemical ID: 6169974

Chemical ID:

6169974

Name [?]:

N-(3-methoxypropyl)-2-(p-tolylsulfanyl)acetamide

SMILES [?]:

Cc1ccc(cc1)SCC(=O)NCCCOC

InChi [?]:

InChI=1/C13H19NO2S/c1-11-4-6-12(7-5-11)17-10-13(15)14-8-3-9-16-2/h4-7H,3,8-10H2,1-2H3,(H,14,15)

InChi Info:

AuxInfo=1/1/N:1,17,14,3,7,4,6,13,15,9,2,5,10,12,11,16,8/E:(4,5)(6,7)/rA:17nCCCCCCCSCCONCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₉NO₂S
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.97729
Area:	479.945
Solvation:	-4.02135
Coulombic:	-29.2304

Bond Count [?]

All:	17
Single:	13
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	253.361
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.28
LogP (Chemaxon):	1.66

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value