2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

C12H23ClN2O3S — CID 119510625

IUPAC2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CS(=O)(=O)C1CCCC1)NCC1CCCN1
InChIInChI=1S/C12H22N2O3S.ClH/c15-12(14-8-10-4-3-7-13-10)9-18(16,17)11-5-1-2-6-11;/h10-11,13H,1-9H2,(H,14,15);1H
InChIKeyDARNGLAUKWFXRM-UHFFFAOYSA-N
MW310.85 g/mol
LogP0.63
Rot. Bonds5

About 2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119510625) has the molecular formula C12H23ClN2O3S and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
PubChem CID119510625
Molecular FormulaC12H23ClN2O3S
Molecular Weight310.85 g/mol
Exact Mass310.11
IUPAC Name2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CS(=O)(=O)C1CCCC1)NCC1CCCN1
InChIInChI=1S/C12H22N2O3S.ClH/c15-12(14-8-10-4-3-7-13-10)9-18(16,17)11-5-1-2-6-11;/h10-11,13H,1-9H2,(H,14,15);1H
InChIKeyDARNGLAUKWFXRM-UHFFFAOYSA-N
XLogP0.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride 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

2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510423
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120943963
N-(cyclopentylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61370022
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
N-(pyrrolidin-2-ylmethyl)cyclopentanesulfonamide
CID 115752325
4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide
CID 177056000
[(2S)-piperidin-2-yl]methylcarbamic acid
CID 67090489
3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119511693
2-[1-(methylsulfonylmethyl)cyclopropyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119512891
2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 87470013
N-(cyclobutylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372732

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (CID 119510625) is 2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is Cl.O=C(CS(=O)(=O)C1CCCC1)NCC1CCCN1.
What is the InChIKey of 2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is DARNGLAUKWFXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S.ClH/c15-12(14-8-10-4-3-7-13-10)9-18(16,17)11-5-1-2-6-11;/h10-11,13H,1-9H2,(H,14,15);1H.
What are the key properties of 2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 310.85 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119510625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).