Chemical ID: 4253314

c1ccc(cc1)S(=O)(=O)C2CCNC2
Chemical ID:
4253314
Name [?]:
3-phenylsulfonylpyrrolidine
SMILES [?]:
c1ccc(cc1)S(=O)(=O)C2CCNC2
InChi [?]:
InChI=1/C10H13NO2S/c12-14(13,10-6-7-11-8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,12,14,4,10,13,8,9,7/E:(2,3)(4,5)(12,13)/CRV:14.6/rA:14cCCCCCCSOOCCCNC/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13NO2S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.7515
Area:363.228
Solvation:-2.32922
Coulombic:-13.0713
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:211.282
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.11
LogP (Chemaxon):0.63

Name Annotations

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Descriptor Annotations

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