5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide

C10H17N3O2S2 — CID 113472684

IUPAC5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide
SMILESCSCC(C)Nc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H17N3O2S2/c1-7(6-16-2)13-9-4-3-8(11)5-10(9)17(12,14)15/h3-5,7,13H,6,11H2,1-2H3,(H2,12,14,15)
InChIKeyAMMVVNDNQMJVLB-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.08
Rot. Bonds5

About 5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide

5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide (PubChem CID 113472684) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide
PubChem CID113472684
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide
SMILESCSCC(C)Nc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H17N3O2S2/c1-7(6-16-2)13-9-4-3-8(11)5-10(9)17(12,14)15/h3-5,7,13H,6,11H2,1-2H3,(H2,12,14,15)
InChIKeyAMMVVNDNQMJVLB-UHFFFAOYSA-N
XLogP1.08
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.08
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

5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83177707
5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide
CID 107643436
5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide
CID 106348379
5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide
CID 114115545
5-amino-2-(7-methyloctylamino)benzenesulfonamide
CID 107814721
5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide
CID 83013156
5-amino-2-(2-methylbutylsulfanyl)benzenesulfonamide
CID 107748040
5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333697
5-amino-2-(2-ethylhexylamino)benzenesulfonamide
CID 107819806
5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide
CID 113494452
4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid
CID 132649855
5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide
CID 103286859

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide?
The IUPAC name of 5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide (CID 113472684) is 5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide is CSCC(C)Nc1ccc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide?
The InChIKey is AMMVVNDNQMJVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-7(6-16-2)13-9-4-3-8(11)5-10(9)17(12,14)15/h3-5,7,13H,6,11H2,1-2H3,(H2,12,14,15).
What are the key properties of 5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide?
5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide has a molecular weight of 275.40 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 113472684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).