Chemical ID: 4070562

CC(C)c1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)OC
Chemical ID:
4070562
Name [?]:
methyl 1-(4-isopropylphenyl)sulfonylpyrrolidine-2-carboxylate
SMILES [?]:
CC(C)c1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H21NO4S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:8.86584
Area:496.944
Solvation:-3.55777
Coulombic:-26.7752
Bond Count [?]
All:22
Single:16
Double:6
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:311.398
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.83
LogP (Chemaxon):2.46

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue