1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C12H21FN2O3S — CID 168713037

IUPAC1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCN(C)[C@H]1CCCC[C@@H]1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C12H21FN2O3S/c1-14(2)10-5-3-4-6-11(10)15-8-9(7-12(15)16)19(13,17)18/h9-11H,3-8H2,1-2H3/t9?,10-,11-/m0/s1
InChIKeyHMGNVFUBLWIWCD-DVRYWGNFSA-N
MW292.38 g/mol
LogP0.76
Rot. Bonds3

About 1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713037) has the molecular formula C12H21FN2O3S and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713037
Molecular FormulaC12H21FN2O3S
Molecular Weight292.38 g/mol
Exact Mass292.13
IUPAC Name1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCN(C)[C@H]1CCCC[C@@H]1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C12H21FN2O3S/c1-14(2)10-5-3-4-6-11(10)15-8-9(7-12(15)16)19(13,17)18/h9-11H,3-8H2,1-2H3/t9?,10-,11-/m0/s1
InChIKeyHMGNVFUBLWIWCD-DVRYWGNFSA-N
XLogP0.76
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713037) is 1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride is CN(C)[C@H]1CCCC[C@@H]1N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is HMGNVFUBLWIWCD-DVRYWGNFSA-N. The full InChI is InChI=1S/C12H21FN2O3S/c1-14(2)10-5-3-4-6-11(10)15-8-9(7-12(15)16)19(13,17)18/h9-11H,3-8H2,1-2H3/t9?,10-,11-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 292.38 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).