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

C10H15NO2S2 — CID 22711650

IUPAC4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CS)cc1
InChIInChI=1S/C10H15NO2S2/c1-8-3-5-10(6-4-8)15(12,13)11-9(2)7-14/h3-6,9,11,14H,7H2,1-2H3
InChIKeyRYJNZVNHFHURHZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.59
Rot. Bonds4

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

4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide (PubChem CID 22711650) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
PubChem CID22711650
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC Name4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CS)cc1
InChIInChI=1S/C10H15NO2S2/c1-8-3-5-10(6-4-8)15(12,13)11-9(2)7-14/h3-6,9,11,14H,7H2,1-2H3
InChIKeyRYJNZVNHFHURHZ-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711635
4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide
CID 57133728
4-methyl-N-[(2S)-pent-4-yn-2-yl]benzenesulfonamide
CID 86604885
N-(5-bromopentan-2-yl)-4-methylbenzenesulfonamide
CID 114294982
N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 102308151
3-[(4-methylphenyl)sulfonylamino]butylcarbamic acid
CID 139490787
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
4-methyl-N-[(2S)-1-oxopropan-2-yl]benzenesulfonamide
CID 18606138
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide
CID 40537050
4-methyl-N'-propan-2-ylbenzenesulfonohydrazide
CID 14470803
(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 6933874

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide (CID 22711650) is 4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)CS)cc1.
What is the InChIKey of 4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide?
The InChIKey is RYJNZVNHFHURHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-8-3-5-10(6-4-8)15(12,13)11-9(2)7-14/h3-6,9,11,14H,7H2,1-2H3.
What are the key properties of 4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide?
4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide has a molecular weight of 245.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 22711650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).