Chemical ID: 6350940

CCS(=O)(=O)N1CCCC(C1)C
Chemical ID:
6350940
Name [?]:
1-ethylsulfonyl-3-methyl-piperidine
SMILES [?]:
CCS(=O)(=O)N1CCCC(C1)C
InChi [?]:
InChI=1/C8H17NO2S/c1-3-12(10,11)9-6-4-5-8(2)7-9/h8H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,8,9,7,11,10,6,4,5,3/E:(10,11)/CRV:12.6/rA:12cCCSOONCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;s8;s9;s6s10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H17NO2S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:2
ZAP Information [?]
Total:6.53609
Area:346.875
Solvation:-2.13578
Coulombic:-5.43351
Bond Count [?]
All:12
Single:10
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:191.292
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.18
LogP (Chemaxon):0.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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