Chemical ID: 3939908

CCS(=O)(=O)N1CCC(CC1)NC(=O)C(C)(C)C
Chemical ID:
3939908
Name [?]:
N-(1-ethylsulfonyl-4-piperidyl)-2,2-dimethyl-propanamide
SMILES [?]:
CCS(=O)(=O)N1CCC(CC1)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C12H24N2O3S/c1-5-18(16,17)14-8-6-10(7-9-14)13-11(15)12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,16,17,18,2,8,10,7,11,9,13,15,12,6,14,4,5,3/E:(2,3,4)(6,7)(8,9)(16,17)/CRV:18.6/rA:18nCCSOONCCCCCNCOCCCC/rB:s1;s2;d3;d3;s3;s6;s7;s8;s9;s6s10;s9;s12;d13;s13;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H24N2O3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.44197
Area:465.8
Solvation:-3.20304
Coulombic:-25.7725
Bond Count [?]
All:18
Single:15
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:276.397
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.81
LogP (Chemaxon):0.47

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Descriptor Annotations

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