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

C16H25N3O3S2 — CID 119555303

IUPACN-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCCC1CCCNC1)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C16H25N3O3S2/c20-16(18-9-7-13-4-1-8-17-12-13)14-5-2-10-19(14)24(21,22)15-6-3-11-23-15/h3,6,11,13-14,17H,1-2,4-5,7-10,12H2,(H,18,20)
InChIKeyWSLMCWXTHGUPRT-UHFFFAOYSA-N
MW371.53 g/mol
LogP1.41
Rot. Bonds6

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

N-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 119555303) has the molecular formula C16H25N3O3S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID119555303
Molecular FormulaC16H25N3O3S2
Molecular Weight371.53 g/mol
Exact Mass371.13
IUPAC NameN-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCCC1CCCNC1)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C16H25N3O3S2/c20-16(18-9-7-13-4-1-8-17-12-13)14-5-2-10-19(14)24(21,22)15-6-3-11-23-15/h3,6,11,13-14,17H,1-2,4-5,7-10,12H2,(H,18,20)
InChIKeyWSLMCWXTHGUPRT-UHFFFAOYSA-N
XLogP1.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119533743
1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119559231
(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-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119405132
1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119533650
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride
CID 120945882
N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119386114
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-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 119555303) is N-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is O=C(NCCC1CCCNC1)C1CCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is WSLMCWXTHGUPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S2/c20-16(18-9-7-13-4-1-8-17-12-13)14-5-2-10-19(14)24(21,22)15-6-3-11-23-15/h3,6,11,13-14,17H,1-2,4-5,7-10,12H2,(H,18,20).
What are the key properties of N-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
N-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 119555303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).