4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide

C10H17N3O2S2 — CID 82901368

IUPAC4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NCCSC)c1
InChIInChI=1S/C10H17N3O2S2/c1-12-17(14,15)8-3-4-9(11)10(7-8)13-5-6-16-2/h3-4,7,12-13H,5-6,11H2,1-2H3
InChIKeyOHGHHEOEHWWFMW-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.95
Rot. Bonds6

About 4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide

4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide (PubChem CID 82901368) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide
PubChem CID82901368
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NCCSC)c1
InChIInChI=1S/C10H17N3O2S2/c1-12-17(14,15)8-3-4-9(11)10(7-8)13-5-6-16-2/h3-4,7,12-13H,5-6,11H2,1-2H3
InChIKeyOHGHHEOEHWWFMW-UHFFFAOYSA-N
XLogP0.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-3-(3-sulfamoylpropylamino)benzenesulfonamide
CID 82900018
4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide
CID 82898084
4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 82899707
3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106166710
4-amino-N-methyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide
CID 82900736
4-amino-N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 82901841
4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide
CID 106393414
3-amino-N-methyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 54935258
4-amino-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 82898098
4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106007379
4-amino-3-[(2-bromophenyl)methylamino]-N-methylbenzenesulfonamide
CID 82900167
4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide
CID 106183615

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide (CID 82901368) is 4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(NCCSC)c1.
What is the InChIKey of 4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide?
The InChIKey is OHGHHEOEHWWFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-12-17(14,15)8-3-4-9(11)10(7-8)13-5-6-16-2/h3-4,7,12-13H,5-6,11H2,1-2H3.
What are the key properties of 4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide?
4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide has a molecular weight of 275.40 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide is sourced from PubChem (CID 82901368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).