Chemical ID: 4805915

CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CC(C)C
Chemical ID:
4805915
Name [?]:
N-(1,1-dioxothiolan-3-yl)-3-methyl-N-sec-butyl-butanamide
SMILES [?]:
CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CC(C)C
InChi [?]:
InChI=1/C13H25NO3S/c1-5-11(4)14(13(15)8-10(2)3)12-6-7-18(16,17)9-12/h10-12H,5-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,18,4,2,7,8,15,12,16,3,6,13,5,14,10,11,9/E:(2,3)(16,17)/CRV:18.6/rA:18cCCCCNCCCSOOCCOCCCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;d9;d9;s6s9;s5;d13;s13;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H25NO3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:8.07253
Area:454.511
Solvation:-3.29025
Coulombic:-17.753
Bond Count [?]
All:18
Single:15
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:275.409
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.36
LogP (Chemaxon):0.82

Name Annotations

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Descriptor Annotations

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