Chemical ID: 5518059

CSc1cccc(c1)NC(=O)C2CCCC2
Chemical ID:
5518059
Name [?]:
N-(3-methylsulfanylphenyl)cyclopentanecarboxamide
SMILES [?]:
CSc1cccc(c1)NC(=O)C2CCCC2
InChi [?]:
InChI=1/C13H17NOS/c1-16-12-8-4-7-11(9-12)14-13(15)10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,15,5,13,16,6,4,8,12,7,3,10,9,11,2/E:(2,3)(5,6)/rA:16nCSCCCCCCNCOCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NOS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.71503
Area:423.376
Solvation:-1.86938
Coulombic:-21.9997
Bond Count [?]
All:17
Single:13
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:235.346
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.36
LogP (Chemaxon):3.51

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Descriptor Annotations

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