2-amino-N-methyl-4-(1-thiophen-3-ylethylamino)benzenesulfonamide

C13H17N3O2S2 — CID 80645874

IUPAC2-amino-N-methyl-4-(1-thiophen-3-ylethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)c2ccsc2)cc1N
InChIInChI=1S/C13H17N3O2S2/c1-9(10-5-6-19-8-10)16-11-3-4-13(12(14)7-11)20(17,18)15-2/h3-9,15-16H,14H2,1-2H3
InChIKeyLCVIGEANBOEUNN-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.41
Rot. Bonds5

About 2-amino-N-methyl-4-(1-thiophen-3-ylethylamino)benzenesulfonamide

2-amino-N-methyl-4-(1-thiophen-3-ylethylamino)benzenesulfonamide (PubChem CID 80645874) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-amino-N-methyl-4-(1-thiophen-3-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-(1-thiophen-3-ylethylamino)benzenesulfonamide
PubChem CID80645874
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name2-amino-N-methyl-4-(1-thiophen-3-ylethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)c2ccsc2)cc1N
InChIInChI=1S/C13H17N3O2S2/c1-9(10-5-6-19-8-10)16-11-3-4-13(12(14)7-11)20(17,18)15-2/h3-9,15-16H,14H2,1-2H3
InChIKeyLCVIGEANBOEUNN-UHFFFAOYSA-N
XLogP2.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 80641118
2-amino-N-methyl-4-(2-methylpentan-3-ylamino)benzenesulfonamide
CID 80645869
3-N-(1-thiophen-3-ylethyl)benzene-1,3-diamine
CID 62841671
2-amino-N-methyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide
CID 106387704
2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide
CID 80645953
3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide
CID 55122010
2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide
CID 80645596
4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 55130085
3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 116791823
2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide
CID 79467494
4-chloro-N-(1-thiophen-3-ylethyl)aniline
CID 62091709
2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide
CID 79466950

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-(1-thiophen-3-ylethylamino)benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-(1-thiophen-3-ylethylamino)benzenesulfonamide (CID 80645874) is 2-amino-N-methyl-4-(1-thiophen-3-ylethylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-(1-thiophen-3-ylethylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-(1-thiophen-3-ylethylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(NC(C)c2ccsc2)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-(1-thiophen-3-ylethylamino)benzenesulfonamide?
The InChIKey is LCVIGEANBOEUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-9(10-5-6-19-8-10)16-11-3-4-13(12(14)7-11)20(17,18)15-2/h3-9,15-16H,14H2,1-2H3.
What are the key properties of 2-amino-N-methyl-4-(1-thiophen-3-ylethylamino)benzenesulfonamide?
2-amino-N-methyl-4-(1-thiophen-3-ylethylamino)benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-(1-thiophen-3-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 80645874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).