5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide

C11H17N3O5S2 — CID 80730050

IUPAC5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1
InChIInChI=1S/C11H17N3O5S2/c1-13(7-8-4-2-3-5-19-8)21(17,18)10-6-9(14(15)16)11(12)20-10/h6,8H,2-5,7,12H2,1H3
InChIKeyMIBYAWQGKLVGNQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.43
Rot. Bonds5

About 5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide

5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 80730050) has the molecular formula C11H17N3O5S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID80730050
Molecular FormulaC11H17N3O5S2
Molecular Weight335.41 g/mol
Exact Mass335.06
IUPAC Name5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1
InChIInChI=1S/C11H17N3O5S2/c1-13(7-8-4-2-3-5-19-8)21(17,18)10-6-9(14(15)16)11(12)20-10/h6,8H,2-5,7,12H2,1H3
InChIKeyMIBYAWQGKLVGNQ-UHFFFAOYSA-N
XLogP1.43
TPSA115.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
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 5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-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-amino-N-methyl-2-nitro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 62158780
4-chloro-N-methyl-2-nitro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 86825290
N,2,3-trimethyl-5-nitro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 86825297
3-fluoro-N-methyl-4-nitro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 82846972
5-(2-aminoethyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide
CID 61436431
3-bromo-2-chloro-N-methyl-5-nitro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 119040582
5-amino-N-methyl-N-(3-methylbutyl)-4-nitrothiophene-2-sulfonamide
CID 80746926
5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 80579987
5-chloro-N-(cyclohexylmethyl)-N-methyl-4-nitrothiophene-2-sulfonamide
CID 112729909
4-amino-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 82843648
3-amino-5-bromo-N,2-dimethyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 114379300
2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 61221701

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide (CID 80730050) is 5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide is CN(CC1CCCCO1)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1.
What is the InChIKey of 5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is MIBYAWQGKLVGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S2/c1-13(7-8-4-2-3-5-19-8)21(17,18)10-6-9(14(15)16)11(12)20-10/h6,8H,2-5,7,12H2,1H3.
What are the key properties of 5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide?
5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 335.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80730050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).