N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride

C14H22ClN3O3S2 — CID 119386114

IUPACN-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C14H21N3O3S2.ClH/c18-14(16-11-5-7-15-8-6-11)12-3-1-9-17(12)22(19,20)13-4-2-10-21-13;/h2,4,10-12,15H,1,3,5-9H2,(H,16,18);1H
InChIKeySRDJRZJCDHFAJB-UHFFFAOYSA-N
MW379.94 g/mol
LogP1.19
Rot. Bonds4

About N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride

N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119386114) has the molecular formula C14H22ClN3O3S2 and a molecular weight of 379.94 g/mol. Its IUPAC name is N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119386114
Molecular FormulaC14H22ClN3O3S2
Molecular Weight379.94 g/mol
Exact Mass379.08
IUPAC NameN-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C14H21N3O3S2.ClH/c18-14(16-11-5-7-15-8-6-11)12-3-1-9-17(12)22(19,20)13-4-2-10-21-13;/h2,4,10-12,15H,1,3,5-9H2,(H,16,18);1H
InChIKeySRDJRZJCDHFAJB-UHFFFAOYSA-N
XLogP1.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.94
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845
N-piperidin-4-yl-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119386471
N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119533743
(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841
N-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119555303
(2R)-N-(4-chlorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614814
(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-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride
CID 120945882
N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119405132
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
(2R)-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799494

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride (CID 119386114) is N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NC1CCNCC1)C1CCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is SRDJRZJCDHFAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S2.ClH/c18-14(16-11-5-7-15-8-6-11)12-3-1-9-17(12)22(19,20)13-4-2-10-21-13;/h2,4,10-12,15H,1,3,5-9H2,(H,16,18);1H.
What are the key properties of N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride?
N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 379.94 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119386114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).