5-methyl-N-[3-(methylamino)propyl]-4-nitrothiophene-2-carboxamide;hydrochloride

C10H16ClN3O3S — CID 119432221

IUPAC5-methyl-N-[3-(methylamino)propyl]-4-nitrothiophene-2-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1cc([N+](=O)[O-])c(C)s1.Cl
InChIInChI=1S/C10H15N3O3S.ClH/c1-7-8(13(15)16)6-9(17-7)10(14)12-5-3-4-11-2;/h6,11H,3-5H2,1-2H3,(H,12,14);1H
InChIKeyDBPJHDCGOOHFNK-UHFFFAOYSA-N
MW293.78 g/mol
LogP1.73
Rot. Bonds6

About 5-methyl-N-[3-(methylamino)propyl]-4-nitrothiophene-2-carboxamide;hydrochloride

5-methyl-N-[3-(methylamino)propyl]-4-nitrothiophene-2-carboxamide;hydrochloride (PubChem CID 119432221) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is 5-methyl-N-[3-(methylamino)propyl]-4-nitrothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-[3-(methylamino)propyl]-4-nitrothiophene-2-carboxamide;hydrochloride
PubChem CID119432221
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name5-methyl-N-[3-(methylamino)propyl]-4-nitrothiophene-2-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1cc([N+](=O)[O-])c(C)s1.Cl
InChIInChI=1S/C10H15N3O3S.ClH/c1-7-8(13(15)16)6-9(17-7)10(14)12-5-3-4-11-2;/h6,11H,3-5H2,1-2H3,(H,12,14);1H
InChIKeyDBPJHDCGOOHFNK-UHFFFAOYSA-N
XLogP1.73
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
CID 119628583
N-[4-(4-fluorophenoxy)butyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 32645860
N-(3-aminobutyl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 119497617
N-[2-(4-chlorophenyl)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 46671339
N-(3-hydroxy-3-phenylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 111472003
5-methyl-4-nitro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide
CID 46587109
N-(2,2-diphenylethyl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 46443466
N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 111441379
N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 111425705
5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 119557591
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 120947759
4,5-dimethoxy-N-[3-(methylamino)propyl]-2-nitrobenzamide
CID 43808791

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(methylamino)propyl]-4-nitrothiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-[3-(methylamino)propyl]-4-nitrothiophene-2-carboxamide;hydrochloride (CID 119432221) is 5-methyl-N-[3-(methylamino)propyl]-4-nitrothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-[3-(methylamino)propyl]-4-nitrothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-[3-(methylamino)propyl]-4-nitrothiophene-2-carboxamide;hydrochloride is CNCCCNC(=O)c1cc([N+](=O)[O-])c(C)s1.Cl.
What is the InChIKey of 5-methyl-N-[3-(methylamino)propyl]-4-nitrothiophene-2-carboxamide;hydrochloride?
The InChIKey is DBPJHDCGOOHFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S.ClH/c1-7-8(13(15)16)6-9(17-7)10(14)12-5-3-4-11-2;/h6,11H,3-5H2,1-2H3,(H,12,14);1H.
What are the key properties of 5-methyl-N-[3-(methylamino)propyl]-4-nitrothiophene-2-carboxamide;hydrochloride?
5-methyl-N-[3-(methylamino)propyl]-4-nitrothiophene-2-carboxamide;hydrochloride has a molecular weight of 293.78 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(methylamino)propyl]-4-nitrothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119432221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).