N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

C15H23N3O3S2 — CID 119533743

IUPACN-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCCC1CCNC1)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C15H23N3O3S2/c19-15(17-8-6-12-5-7-16-11-12)13-3-1-9-18(13)23(20,21)14-4-2-10-22-14/h2,4,10,12-13,16H,1,3,5-9,11H2,(H,17,19)
InChIKeyYJRUFSWLXWRSJC-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.02
Rot. Bonds6

About N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 119533743) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID119533743
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCCC1CCNC1)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C15H23N3O3S2/c19-15(17-8-6-12-5-7-16-11-12)13-3-1-9-18(13)23(20,21)14-4-2-10-22-14/h2,4,10,12-13,16H,1,3,5-9,11H2,(H,17,19)
InChIKeyYJRUFSWLXWRSJC-UHFFFAOYSA-N
XLogP1.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119555303
(2S)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799718
(2R)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799719
1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119533650
N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119405132
1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119559231
N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119386114
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride
CID 120945882
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 71684075
(2R)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 52512502
(2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 95273287
N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 119533743) is N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is O=C(NCCC1CCNC1)C1CCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is YJRUFSWLXWRSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c19-15(17-8-6-12-5-7-16-11-12)13-3-1-9-18(13)23(20,21)14-4-2-10-22-14/h2,4,10,12-13,16H,1,3,5-9,11H2,(H,17,19).
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 119533743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).