N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride

C15H24ClN3O4S2 — CID 120945882

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)C1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C15H23N3O4S2.ClH/c19-13-10-16-8-11(13)9-17-15(20)12-4-1-2-6-18(12)24(21,22)14-5-3-7-23-14;/h3,5,7,11-13,16,19H,1-2,4,6,8-10H2,(H,17,20);1H
InChIKeyYGHHYMVAIDPHNM-UHFFFAOYSA-N
MW409.96 g/mol
LogP0.41
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride (PubChem CID 120945882) has the molecular formula C15H24ClN3O4S2 and a molecular weight of 409.96 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride
PubChem CID120945882
Molecular FormulaC15H24ClN3O4S2
Molecular Weight409.96 g/mol
Exact Mass409.09
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)C1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C15H23N3O4S2.ClH/c19-13-10-16-8-11(13)9-17-15(20)12-4-1-2-6-18(12)24(21,22)14-5-3-7-23-14;/h3,5,7,11-13,16,19H,1-2,4,6,8-10H2,(H,17,20);1H
InChIKeyYGHHYMVAIDPHNM-UHFFFAOYSA-N
XLogP0.41
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;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

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 120943095
N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119533743
(2S)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799718
(2R)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799719
N-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119555303
N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119386114
N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119405132
(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride
CID 42281719
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 71684075
(2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 95273287
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 120947149

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride (CID 120945882) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride is Cl.O=C(NCC1CNCC1O)C1CCCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is YGHHYMVAIDPHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S2.ClH/c19-13-10-16-8-11(13)9-17-15(20)12-4-1-2-6-18(12)24(21,22)14-5-3-7-23-14;/h3,5,7,11-13,16,19H,1-2,4,6,8-10H2,(H,17,20);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120945882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).