N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride

C14H22ClN3O2S — CID 119499235

IUPACN-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)C1CCCN1C(=O)c1cccs1.Cl
InChIInChI=1S/C14H21N3O2S.ClH/c1-10(15)6-7-16-13(18)11-4-2-8-17(11)14(19)12-5-3-9-20-12;/h3,5,9-11H,2,4,6-8,15H2,1H3,(H,16,18);1H
InChIKeyATGOQLGQJCKLOV-UHFFFAOYSA-N
MW331.87 g/mol
LogP1.63
Rot. Bonds5

About N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride

N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119499235) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119499235
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC NameN-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)C1CCCN1C(=O)c1cccs1.Cl
InChIInChI=1S/C14H21N3O2S.ClH/c1-10(15)6-7-16-13(18)11-4-2-8-17(11)14(19)12-5-3-9-20-12;/h3,5,9-11H,2,4,6-8,15H2,1H3,(H,16,18);1H
InChIKeyATGOQLGQJCKLOV-UHFFFAOYSA-N
XLogP1.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-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-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119495524
N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 111433754
N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119498752
N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78853291
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
tert-butyl N-[2-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]ethyl]carbamate
CID 47082171
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
(2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55980543
N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 78768339
ethyl N-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]carbamate
CID 55929773
(2S)-N-[(2R)-octan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 96563528

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119499235) is N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride is CC(N)CCNC(=O)C1CCCN1C(=O)c1cccs1.Cl.
What is the InChIKey of N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ATGOQLGQJCKLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S.ClH/c1-10(15)6-7-16-13(18)11-4-2-8-17(11)14(19)12-5-3-9-20-12;/h3,5,9-11H,2,4,6-8,15H2,1H3,(H,16,18);1H.
What are the key properties of N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 331.87 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119499235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).