Chemical ID: 5196802

CCC(CC)N1CCCS1(=O)=O
Chemical ID:
5196802
Name [?]:
2-(1-ethylpropyl)thiazolidine 1,1-dioxide
SMILES [?]:
CCC(CC)N1CCCS1(=O)=O
InChi [?]:
InChI=1/C8H17NO2S/c1-3-8(4-2)9-6-5-7-12(9,10)11/h8H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,8,7,9,3,6,11,12,10/E:(1,2)(3,4)(10,11)/CRV:12.6/rA:12cCCCCCNCCCSOO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s6s9;d10;d10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H17NO2S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:6.03113
Area:336.679
Solvation:-2.38585
Coulombic:-4.88674
Bond Count [?]
All:12
Single:10
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:191.292
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.34
LogP (Chemaxon):0.81

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Descriptor Annotations

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