5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride

C10H14ClN3O3S — CID 119452265

IUPAC5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
SMILESCc1sc(C(=O)NC2CCNC2)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C10H13N3O3S.ClH/c1-6-8(13(15)16)4-9(17-6)10(14)12-7-2-3-11-5-7;/h4,7,11H,2-3,5H2,1H3,(H,12,14);1H
InChIKeyQOYZDFPGTPEIAU-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.48
Rot. Bonds3

About 5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride

5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride (PubChem CID 119452265) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
PubChem CID119452265
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
SMILESCc1sc(C(=O)NC2CCNC2)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C10H13N3O3S.ClH/c1-6-8(13(15)16)4-9(17-6)10(14)12-7-2-3-11-5-7;/h4,7,11H,2-3,5H2,1H3,(H,12,14);1H
InChIKeyQOYZDFPGTPEIAU-UHFFFAOYSA-N
XLogP1.48
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.48
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-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 119457716
5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide
CID 112530952
N-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 31835738
5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 119557591
4-methyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 55068272
4-tert-butyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 119453941
4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119454424
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 120947759
N-(2-amino-1-cyclopropylethyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
CID 119615656
4-(cyclopropylamino)-3-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450971
N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 111425705
3-methyl-4-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866634

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride (CID 119452265) is 5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride is Cc1sc(C(=O)NC2CCNC2)cc1[N+](=O)[O-].Cl.
What is the InChIKey of 5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
The InChIKey is QOYZDFPGTPEIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S.ClH/c1-6-8(13(15)16)4-9(17-6)10(14)12-7-2-3-11-5-7;/h4,7,11H,2-3,5H2,1H3,(H,12,14);1H.
What are the key properties of 5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride has a molecular weight of 291.76 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119452265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).