N-[2-(dimethylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride

C10H16ClN3O3S — CID 3077113

IUPACN-[2-(dimethylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
SMILESCc1sc(C(=O)NCCN(C)C)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C10H15N3O3S.ClH/c1-7-8(13(15)16)6-9(17-7)10(14)11-4-5-12(2)3;/h6H,4-5H2,1-3H3,(H,11,14);1H
InChIKeyXUNZJLQUQGSGIH-UHFFFAOYSA-N
MW293.78 g/mol
LogP1.68
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride

N-[2-(dimethylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride (PubChem CID 3077113) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
PubChem CID3077113
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC NameN-[2-(dimethylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
SMILESCc1sc(C(=O)NCCN(C)C)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C10H15N3O3S.ClH/c1-7-8(13(15)16)6-9(17-7)10(14)11-4-5-12(2)3;/h6H,4-5H2,1-3H3,(H,11,14);1H
InChIKeyXUNZJLQUQGSGIH-UHFFFAOYSA-N
XLogP1.68
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 51.68
H-Bond Donors ≤ 51
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-4-nitrothiophene-2-carboxamide
CID 770001
N-cyclopentyl-5-nitrothiophene-2-carboxamide
CID 2108334
5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide
CID 16373551
2-Thiophenecarboxamide, 5-methyl-N-(2-(4-morpholinyl)ethyl)-4-nitro-, monohydrochloride
CID 3077115
2-Thiophenecarboxamide, 5-methyl-4-nitro-N-(3-(1-pyrrolidinyl)propyl)-, monohydrochloride
CID 3077117
L-Lysine, N(sup 2)-((5-methyl-4-nitro-2-thienyl)carbonyl)-, methyl ester, monohydrochloride
CID 3077119
N-cycloheptyl-5-nitrothiophene-2-carboxamide
CID 4793744
N-(2-{4-nitroanilino}ethyl)-2-thiophenecarboxamide
CID 3110715
2-nitro-N-prop-2-enylthiophene-5-carboxamide
CID 4208819
5-methyl-4-nitro-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 44307453
5-methyl-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 45260610
N-[2-(dipropylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
CID 45264573

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride (CID 3077113) is N-[2-(dimethylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride is Cc1sc(C(=O)NCCN(C)C)cc1[N+](=O)[O-].Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride?
The InChIKey is XUNZJLQUQGSGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S.ClH/c1-7-8(13(15)16)6-9(17-7)10(14)11-4-5-12(2)3;/h6H,4-5H2,1-3H3,(H,11,14);1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride has a molecular weight of 293.78 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 3077113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).