2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride

C12H23ClN2O4S — CID 120943963

IUPAC2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
SMILESCl.O=C(CS(=O)(=O)C1CCCC1)NCC1CNCC1O
InChIInChI=1S/C12H22N2O4S.ClH/c15-11-7-13-5-9(11)6-14-12(16)8-19(17,18)10-3-1-2-4-10;/h9-11,13,15H,1-8H2,(H,14,16);1H
InChIKeyMRKPUEQNOISDHF-UHFFFAOYSA-N
MW326.85 g/mol
LogP-0.54
Rot. Bonds5

About 2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride

2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride (PubChem CID 120943963) has the molecular formula C12H23ClN2O4S and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
PubChem CID120943963
Molecular FormulaC12H23ClN2O4S
Molecular Weight326.85 g/mol
Exact Mass326.11
IUPAC Name2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
SMILESCl.O=C(CS(=O)(=O)C1CCCC1)NCC1CNCC1O
InChIInChI=1S/C12H22N2O4S.ClH/c15-11-7-13-5-9(11)6-14-12(16)8-19(17,18)10-3-1-2-4-10;/h9-11,13,15H,1-8H2,(H,14,16);1H
InChIKeyMRKPUEQNOISDHF-UHFFFAOYSA-N
XLogP-0.54
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510625
3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944731
3-cyclopentyl-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]propanamide;hydrochloride
CID 120945798
N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxopropyl]cyclohexanecarboxamide
CID 120946529
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide
CID 126826590
2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride
CID 87481313
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 120948480
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
CID 120947386
N-[(2S)-1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120943537
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide
CID 120947359
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,3-dimethylpentanamide
CID 120945743

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride (CID 120943963) is 2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride is Cl.O=C(CS(=O)(=O)C1CCCC1)NCC1CNCC1O.
What is the InChIKey of 2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride?
The InChIKey is MRKPUEQNOISDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S.ClH/c15-11-7-13-5-9(11)6-14-12(16)8-19(17,18)10-3-1-2-4-10;/h9-11,13,15H,1-8H2,(H,14,16);1H.
What are the key properties of 2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride?
2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride has a molecular weight of 326.85 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 120943963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).