N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

C12H19N3O3S2 — CID 119405132

IUPACN-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESNCCCNC(=O)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C12H19N3O3S2/c13-6-3-7-14-12(16)10-4-1-8-15(10)20(17,18)11-5-2-9-19-11/h2,5,9-10H,1,3-4,6-8,13H2,(H,14,16)
InChIKeyFLZLQBXXLWZGSS-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.37
Rot. Bonds6

About N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 119405132) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID119405132
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC NameN-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESNCCCNC(=O)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C12H19N3O3S2/c13-6-3-7-14-12(16)10-4-1-8-15(10)20(17,18)11-5-2-9-19-11/h2,5,9-10H,1,3-4,6-8,13H2,(H,14,16)
InChIKeyFLZLQBXXLWZGSS-UHFFFAOYSA-N
XLogP0.37
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(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-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119533743
N-(2-piperidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119555303
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
(2R)-N-(4-chlorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614814
(2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 95595336
N-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119665150
(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 119405132) is N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is NCCCNC(=O)C1CCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is FLZLQBXXLWZGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c13-6-3-7-14-12(16)10-4-1-8-15(10)20(17,18)11-5-2-9-19-11/h2,5,9-10H,1,3-4,6-8,13H2,(H,14,16).
What are the key properties of N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 119405132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).