[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone

C16H28N2O3S — CID 110305825

IUPAC[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C16H28N2O3S/c1-13-8-11-17(12-9-13)16(19)15-7-4-10-18(15)22(20,21)14-5-2-3-6-14/h13-15H,2-12H2,1H3/t15-/m0/s1
InChIKeyZTIISTPUCLIUJF-HNNXBMFYSA-N
MW328.48 g/mol
LogP1.98
Rot. Bonds3

About [(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone

[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 110305825) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is [(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID110305825
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC Name[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C16H28N2O3S/c1-13-8-11-17(12-9-13)16(19)15-7-4-10-18(15)22(20,21)14-5-2-3-6-14/h13-15H,2-12H2,1H3/t15-/m0/s1
InChIKeyZTIISTPUCLIUJF-HNNXBMFYSA-N
XLogP1.98
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid
CID 105360669
(2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid
CID 61137595
[(2S)-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285957
[(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110305811
[(2S)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285973
1-[2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 42702614
[(2S)-1-[(2-chlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285967
[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285952
(2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 28784096
N,2-dimethyl-2-[2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]propanamide
CID 162793147
1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one
CID 99786176
(4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 3690578

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone (CID 110305825) is [(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)C2CCCC2)CC1.
What is the InChIKey of [(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is ZTIISTPUCLIUJF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-13-8-11-17(12-9-13)16(19)15-7-4-10-18(15)22(20,21)14-5-2-3-6-14/h13-15H,2-12H2,1H3/t15-/m0/s1.
What are the key properties of [(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 328.48 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110305825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).