N-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride

C9H15ClN2OS2 — CID 119405175

IUPACN-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
SMILESCSc1ccsc1C(=O)NCCCN.Cl
InChIInChI=1S/C9H14N2OS2.ClH/c1-13-7-3-6-14-8(7)9(12)11-5-2-4-10;/h3,6H,2,4-5,10H2,1H3,(H,11,12);1H
InChIKeyXPFGTXFBWVHWCQ-UHFFFAOYSA-N
MW266.82 g/mol
LogP1.97
Rot. Bonds5

About N-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride

N-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride (PubChem CID 119405175) has the molecular formula C9H15ClN2OS2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
PubChem CID119405175
Molecular FormulaC9H15ClN2OS2
Molecular Weight266.82 g/mol
Exact Mass266.03
IUPAC NameN-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
SMILESCSc1ccsc1C(=O)NCCCN.Cl
InChIInChI=1S/C9H14N2OS2.ClH/c1-13-7-3-6-14-8(7)9(12)11-5-2-4-10;/h3,6H,2,4-5,10H2,1H3,(H,11,12);1H
InChIKeyXPFGTXFBWVHWCQ-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide
CID 119429867
N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide
CID 119995733
N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
CID 119619363
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide
CID 111429524
N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide
CID 111447422
N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide
CID 111335113
N-(2-aminoethyl)-3-propan-2-ylthiophene-2-carboxamide
CID 119382828
3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 119555349
3-amino-N-(5-methylhexyl)thiophene-2-carboxamide
CID 115324411
N-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide
CID 119589249
N-(3-aminopropyl)-2,4-dichloro-5-methylsulfanylbenzamide
CID 119406414
N-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide
CID 119406286

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride (CID 119405175) is N-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride is CSc1ccsc1C(=O)NCCCN.Cl.
What is the InChIKey of N-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride?
The InChIKey is XPFGTXFBWVHWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2.ClH/c1-13-7-3-6-14-8(7)9(12)11-5-2-4-10;/h3,6H,2,4-5,10H2,1H3,(H,11,12);1H.
What are the key properties of N-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride?
N-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride has a molecular weight of 266.82 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119405175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).