[(2S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

C18H32N2O4S — CID 128578999

IUPAC[(2S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCO[C@H]1C[C@@H](C(=O)N2CCCC2)N(S(=O)(=O)CCC2CCCCC2)C1
InChIInChI=1S/C18H32N2O4S/c1-24-16-13-17(18(21)19-10-5-6-11-19)20(14-16)25(22,23)12-9-15-7-3-2-4-8-15/h15-17H,2-14H2,1H3/t16-,17-/m0/s1
InChIKeyCCBCCBAMQIELGZ-IRXDYDNUSA-N
MW372.53 g/mol
LogP2.00
Rot. Bonds6

About [(2S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

[(2S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 128578999) has the molecular formula C18H32N2O4S and a molecular weight of 372.53 g/mol. Its IUPAC name is [(2S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID128578999
Molecular FormulaC18H32N2O4S
Molecular Weight372.53 g/mol
Exact Mass372.21
IUPAC Name[(2S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCO[C@H]1C[C@@H](C(=O)N2CCCC2)N(S(=O)(=O)CCC2CCCCC2)C1
InChIInChI=1S/C18H32N2O4S/c1-24-16-13-17(18(21)19-10-5-6-11-19)20(14-16)25(22,23)12-9-15-7-3-2-4-8-15/h15-17H,2-14H2,1H3/t16-,17-/m0/s1
InChIKeyCCBCCBAMQIELGZ-IRXDYDNUSA-N
XLogP2.00
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 56798256
4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine-2-carboxylic acid
CID 83068024
azepan-1-yl-(4-methoxycyclohexyl)methanone
CID 112530492
[(2S,4S)-1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 128982234
1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 105360699
2-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 55993696
4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43099011
methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 44550100
1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122068407
4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61180946
1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534374
1,4-diazepan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 119418612

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (CID 128578999) is [(2S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(S(=O)(=O)CCC2CCCCC2)C1.
What is the InChIKey of [(2S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CCBCCBAMQIELGZ-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H32N2O4S/c1-24-16-13-17(18(21)19-10-5-6-11-19)20(14-16)25(22,23)12-9-15-7-3-2-4-8-15/h15-17H,2-14H2,1H3/t16-,17-/m0/s1.
What are the key properties of [(2S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
[(2S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 372.53 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 128578999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).