4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide

C12H19NO2S2 — CID 22711635

IUPAC4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
SMILESCC(CS)NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C12H19NO2S2/c1-9(2)11-4-6-12(7-5-11)17(14,15)13-10(3)8-16/h4-7,9-10,13,16H,8H2,1-3H3
InChIKeyOPKYYLUPTNFPQD-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.41
Rot. Bonds5

About 4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide

4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide (PubChem CID 22711635) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
PubChem CID22711635
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC Name4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
SMILESCC(CS)NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C12H19NO2S2/c1-9(2)11-4-6-12(7-5-11)17(14,15)13-10(3)8-16/h4-7,9-10,13,16H,8H2,1-3H3
InChIKeyOPKYYLUPTNFPQD-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide 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

4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711650
4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide
CID 57133728
4-propan-2-ylbenzenesulfonohydrazide
CID 17372434
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
(2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid
CID 61155878
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
CID 104873238
2-[(4-propan-2-ylphenyl)sulfonylamino]propyl 4-hydroxybenzoate
CID 139957940
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
CID 43506825
(2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid
CID 104935181

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide (CID 22711635) is 4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide is CC(CS)NS(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide?
The InChIKey is OPKYYLUPTNFPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S2/c1-9(2)11-4-6-12(7-5-11)17(14,15)13-10(3)8-16/h4-7,9-10,13,16H,8H2,1-3H3.
What are the key properties of 4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide?
4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide has a molecular weight of 273.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 22711635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).