2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide

C12H20N2O2S2 — CID 113498913

IUPAC2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C12H20N2O2S2/c1-4-17-8-10(3)14-18(15,16)12-9(2)6-5-7-11(12)13/h5-7,10,14H,4,8,13H2,1-3H3
InChIKeyBVMJBIYCFLKSKT-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.00
Rot. Bonds6

About 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide

2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide (PubChem CID 113498913) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide
PubChem CID113498913
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C12H20N2O2S2/c1-4-17-8-10(3)14-18(15,16)12-9(2)6-5-7-11(12)13/h5-7,10,14H,4,8,13H2,1-3H3
InChIKeyBVMJBIYCFLKSKT-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide 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

2-amino-N-hexan-2-yl-6-methylbenzenesulfonamide
CID 62196096
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide
CID 79247641
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
N-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide
CID 115684220
2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 54950915
2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide
CID 61105602
2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 115662781
2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide
CID 62407142
2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43452325
5-amino-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 113498915
N-(1-ethylsulfanylpropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide
CID 106083415
5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 106083355

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide (CID 113498913) is 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide is CCSCC(C)NS(=O)(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide?
The InChIKey is BVMJBIYCFLKSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-4-17-8-10(3)14-18(15,16)12-9(2)6-5-7-11(12)13/h5-7,10,14H,4,8,13H2,1-3H3.
What are the key properties of 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide?
2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide has a molecular weight of 288.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 113498913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).