N-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride

C10H16ClN3O3S — CID 119628583

IUPACN-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
SMILESCc1sc(C(=O)NCC(C)(C)N)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C10H15N3O3S.ClH/c1-6-7(13(15)16)4-8(17-6)9(14)12-5-10(2,3)11;/h4H,5,11H2,1-3H3,(H,12,14);1H
InChIKeyYUZYOOJISBBOCG-UHFFFAOYSA-N
MW293.78 g/mol
LogP1.85
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride (PubChem CID 119628583) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
PubChem CID119628583
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC NameN-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
SMILESCc1sc(C(=O)NCC(C)(C)N)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C10H15N3O3S.ClH/c1-6-7(13(15)16)4-8(17-6)9(14)12-5-10(2,3)11;/h4H,5,11H2,1-3H3,(H,12,14);1H
InChIKeyYUZYOOJISBBOCG-UHFFFAOYSA-N
XLogP1.85
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 51.85
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

5-methyl-N-[3-(methylamino)propyl]-4-nitrothiophene-2-carboxamide;hydrochloride
CID 119432221
N-(3-aminobutyl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 119497617
N-(2-amino-2-methylpropyl)-3-methyl-4-nitrobenzamide;hydrochloride
CID 119628423
N-(2,2-diphenylethyl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 46443466
5-methyl-4-nitro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide
CID 46587109
N-(2-amino-1-cyclopropylethyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
CID 119615656
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 120947759
N-[2-(4-chlorophenyl)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 46671339
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
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 111697277
N-(3-hydroxy-3-phenylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 111472003

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride (CID 119628583) is N-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride is Cc1sc(C(=O)NCC(C)(C)N)cc1[N+](=O)[O-].Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride?
The InChIKey is YUZYOOJISBBOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S.ClH/c1-6-7(13(15)16)4-8(17-6)9(14)12-5-10(2,3)11;/h4H,5,11H2,1-3H3,(H,12,14);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride has a molecular weight of 293.78 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119628583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).