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Chemical ID: 3939908
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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