Chemical ID: 4595834

CN(C)C(=O)NC1CCS(=O)(=O)C1
Chemical ID:
4595834
Name [?]:
3-(1,1-dioxothiolan-3-yl)-1,1-dimethyl-urea
SMILES [?]:
CN(C)C(=O)NC1CCS(=O)(=O)C1
InChi [?]:
InChI=1/C7H14N2O3S/c1-9(2)7(10)8-6-3-4-13(11,12)5-6/h6H,3-5H2,1-2H3,(H,8,10)
InChi Info:
AuxInfo=1/1/N:1,3,8,9,13,7,4,6,2,5,11,12,10/E:(1,2)(11,12)/CRV:13.6/rA:13cCNCCONCCCSOOC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;d10;d10;s7s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H14N2O3S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:5.52351
Area:368.625
Solvation:-3.69212
Coulombic:-30.1499
Bond Count [?]
All:13
Single:10
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:206.264
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:-0.57
LogP (Chemaxon):-1.79

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Descriptor Annotations

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