N-(2-hydroxyethyl)-N-methyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide

C8H13N3O5S2 — CID 80746275

IUPACN-(2-hydroxyethyl)-N-methyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide
SMILESCNc1sc(S(=O)(=O)N(C)CCO)cc1[N+](=O)[O-]
InChIInChI=1S/C8H13N3O5S2/c1-9-8-6(11(13)14)5-7(17-8)18(15,16)10(2)3-4-12/h5,9,12H,3-4H2,1-2H3
InChIKeyZIUBAGGRWYGYJK-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.31
Rot. Bonds6

About N-(2-hydroxyethyl)-N-methyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide

N-(2-hydroxyethyl)-N-methyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide (PubChem CID 80746275) has the molecular formula C8H13N3O5S2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide
PubChem CID80746275
Molecular FormulaC8H13N3O5S2
Molecular Weight295.34 g/mol
Exact Mass295.03
IUPAC NameN-(2-hydroxyethyl)-N-methyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide
SMILESCNc1sc(S(=O)(=O)N(C)CCO)cc1[N+](=O)[O-]
InChIInChI=1S/C8H13N3O5S2/c1-9-8-6(11(13)14)5-7(17-8)18(15,16)10(2)3-4-12/h5,9,12H,3-4H2,1-2H3
InChIKeyZIUBAGGRWYGYJK-UHFFFAOYSA-N
XLogP0.31
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)-N-methyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80741936
N-(2-hydroxypropyl)-N-methyl-4-nitro-5-(propylamino)thiophene-2-sulfonamide
CID 80731238
N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide
CID 80746371
N-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide
CID 80746350
N-(2-hydroxyethyl)-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide
CID 112675323
5-(ethylamino)-N-methyl-N-(2-methylbutyl)-4-nitrothiophene-2-sulfonamide
CID 80730931
N-[2-(methanesulfonamido)ethyl]-5-(methylamino)-4-nitrothiophene-2-sulfonamide
CID 80731405
5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 80747707
4-hydroxy-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzenesulfonamide
CID 60961659
4-[(5-chloro-4-nitrothiophen-2-yl)sulfonyl-methylamino]butanoic acid
CID 80742566
5-(ethylamino)-N-methyl-4-nitro-N-pentan-3-ylthiophene-2-sulfonamide
CID 80730747
5-chloro-N-methyl-N-(3-methylbutyl)-4-nitrothiophene-2-sulfonamide
CID 80742645

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide (CID 80746275) is N-(2-hydroxyethyl)-N-methyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide is CNc1sc(S(=O)(=O)N(C)CCO)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide?
The InChIKey is ZIUBAGGRWYGYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S2/c1-9-8-6(11(13)14)5-7(17-8)18(15,16)10(2)3-4-12/h5,9,12H,3-4H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide?
N-(2-hydroxyethyl)-N-methyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide has a molecular weight of 295.34 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80746275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).