5-nitro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride

C11H16ClN3O3S — CID 119537746

IUPAC5-nitro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C11H15N3O3S.ClH/c15-11(9-1-2-10(18-9)14(16)17)13-6-4-8-3-5-12-7-8;/h1-2,8,12H,3-7H2,(H,13,15);1H
InChIKeyKUMHDSBYVPVWPX-UHFFFAOYSA-N
MW305.79 g/mol
LogP1.81
Rot. Bonds5

About 5-nitro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride

5-nitro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 119537746) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 5-nitro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-nitro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
PubChem CID119537746
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name5-nitro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C11H15N3O3S.ClH/c15-11(9-1-2-10(18-9)14(16)17)13-6-4-8-3-5-12-7-8;/h1-2,8,12H,3-7H2,(H,13,15);1H
InChIKeyKUMHDSBYVPVWPX-UHFFFAOYSA-N
XLogP1.81
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870
2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624159
2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630422
5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 119557591
2-bromo-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63623606
4-(cyclopropylamino)-3-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534894
5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119533771
N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride
CID 119534635
2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119536497
6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 81105185
2-amino-5-methyl-3-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536275
2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537862

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-nitro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride (CID 119537746) is 5-nitro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-nitro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-nitro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride is Cl.O=C(NCCC1CCNC1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 5-nitro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is KUMHDSBYVPVWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S.ClH/c15-11(9-1-2-10(18-9)14(16)17)13-6-4-8-3-5-12-7-8;/h1-2,8,12H,3-7H2,(H,13,15);1H.
What are the key properties of 5-nitro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride?
5-nitro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 305.79 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119537746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).