Chemical ID: 7244287

COc1ccc(cc1)CNC2CCS(=O)(=O)C2
Chemical ID:
7244287
Name [?]:
N-[(4-methoxyphenyl)methyl]-1,1-dioxo-thiolan-3-amine
SMILES [?]:
COc1ccc(cc1)CNC2CCS(=O)(=O)C2
InChi [?]:
InChI=1/C12H17NO3S/c1-16-12-4-2-10(3-5-12)8-13-11-6-7-17(14,15)9-11/h2-5,11,13H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,12,13,9,17,6,11,3,10,15,16,2,14/E:(2,3)(4,5)(14,15)/CRV:17.6/rA:17cCOCCCCCCCNCCCSOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;d14;s11s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO3S
All Atoms:34
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.40048
Area:442.098
Solvation:-4.65198
Coulombic:-17.1952
Bond Count [?]
All:18
Single:13
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:255.334
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.38
LogP (Chemaxon):0.1

Name Annotations

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Descriptor Annotations

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