N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride

C13H22ClN3O2S — CID 120561874

IUPACN-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride
SMILESCC(N)CCC(=O)NCCCNC(=O)c1cccs1.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-10(14)5-6-12(17)15-7-3-8-16-13(18)11-4-2-9-19-11;/h2,4,9-10H,3,5-8,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeySJPMHKZWUFCGJM-UHFFFAOYSA-N
MW319.86 g/mol
LogP1.53
Rot. Bonds8

About N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride

N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 120561874) has the molecular formula C13H22ClN3O2S and a molecular weight of 319.86 g/mol. Its IUPAC name is N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride
PubChem CID120561874
Molecular FormulaC13H22ClN3O2S
Molecular Weight319.86 g/mol
Exact Mass319.11
IUPAC NameN-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride
SMILESCC(N)CCC(=O)NCCCNC(=O)c1cccs1.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-10(14)5-6-12(17)15-7-3-8-16-13(18)11-4-2-9-19-11;/h2,4,9-10H,3,5-8,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeySJPMHKZWUFCGJM-UHFFFAOYSA-N
XLogP1.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[3-(thiophene-2-carbonylamino)propanoylamino]pentanoic acid
CID 104682695
N-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 115703678
N-[4-(5-methylhexan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 78794704
N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 103782548
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 43043080
4-amino-1-thiophen-2-ylpentan-1-one
CID 116571816
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-[3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 111942759
N-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 78793932
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride
CID 119727138

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride (CID 120561874) is N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride is CC(N)CCC(=O)NCCCNC(=O)c1cccs1.Cl.
What is the InChIKey of N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is SJPMHKZWUFCGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S.ClH/c1-10(14)5-6-12(17)15-7-3-8-16-13(18)11-4-2-9-19-11;/h2,4,9-10H,3,5-8,14H2,1H3,(H,15,17)(H,16,18);1H.
What are the key properties of N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride?
N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 319.86 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120561874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).