Chemical ID: 7245380

CN(C)CCN(C1CCS(=O)(=O)C1)C(=O)CCl
Chemical ID:
7245380
Name [?]:
2-chloro-N-(2-dimethylaminoethyl)-N-(1,1-dioxothiolan-3-yl)-acetamide
SMILES [?]:
CN(C)CCN(C1CCS(=O)(=O)C1)C(=O)CCl
InChi [?]:
InChI=1/C10H19ClN2O3S/c1-12(2)4-5-13(10(14)7-11)9-3-6-17(15,16)8-9/h9H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,8,4,5,9,16,13,7,14,17,2,6,15,11,12,10/E:(1,2)(15,16)/CRV:17.6/rA:17cCNCCCNCCCSOOCCOCCl/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;d10;s7s10;s6;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H19ClN2O3S
All Atoms:36
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.0024
Area:461.089
Solvation:-4.52483
Coulombic:-21.3003
Bond Count [?]
All:17
Single:14
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:282.788
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:-0.12
LogP (Chemaxon):-1.19

Name Annotations

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Descriptor Annotations

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