4-methyl-N-[methyl(propan-2-ylidene)-λ4-sulfanyl]benzenesulfonamide

C11H17NO2S2 — CID 123730201

IUPAC4-methyl-N-[methyl(propan-2-ylidene)-λ4-sulfanyl]benzenesulfonamide
SMILESCC(C)=S(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H17NO2S2/c1-9(2)15(4)12-16(13,14)11-7-5-10(3)6-8-11/h5-8,12H,1-4H3
InChIKeyKTUGHKGTSXJXOU-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.30
Rot. Bonds3

About 4-methyl-N-[methyl(propan-2-ylidene)-λ4-sulfanyl]benzenesulfonamide

4-methyl-N-[methyl(propan-2-ylidene)-λ4-sulfanyl]benzenesulfonamide (PubChem CID 123730201) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-methyl-N-[methyl(propan-2-ylidene)-λ4-sulfanyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[methyl(propan-2-ylidene)-λ4-sulfanyl]benzenesulfonamide
PubChem CID123730201
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC Name4-methyl-N-[methyl(propan-2-ylidene)-λ4-sulfanyl]benzenesulfonamide
SMILESCC(C)=S(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H17NO2S2/c1-9(2)15(4)12-16(13,14)11-7-5-10(3)6-8-11/h5-8,12H,1-4H3
InChIKeyKTUGHKGTSXJXOU-UHFFFAOYSA-N
XLogP2.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(sulfinosulfamoyl)benzene
CID 57311517
1-methyl-4-(sulfinatosulfamoyl)benzene
CID 57311516
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
4-methylbenzenesulfonohydrazide
CID 15303
N-(2-bromoprop-2-enylsulfinyl)-4-methylbenzenesulfonamide
CID 5256430
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
methyl N-[(4-methylphenyl)sulfonylamino]carbamate
CID 795389
N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide
CID 16723470
(4-methylphenyl)sulfonylurea;urea
CID 160676948
4-methyl-N-[(E)-3-phenylbut-2-enyl]sulfinylbenzenesulfonamide
CID 12614365
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[methyl(propan-2-ylidene)-λ4-sulfanyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[methyl(propan-2-ylidene)-λ4-sulfanyl]benzenesulfonamide (CID 123730201) is 4-methyl-N-[methyl(propan-2-ylidene)-λ4-sulfanyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[methyl(propan-2-ylidene)-λ4-sulfanyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[methyl(propan-2-ylidene)-λ4-sulfanyl]benzenesulfonamide is CC(C)=S(C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[methyl(propan-2-ylidene)-λ4-sulfanyl]benzenesulfonamide?
The InChIKey is KTUGHKGTSXJXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-9(2)15(4)12-16(13,14)11-7-5-10(3)6-8-11/h5-8,12H,1-4H3.
What are the key properties of 4-methyl-N-[methyl(propan-2-ylidene)-λ4-sulfanyl]benzenesulfonamide?
4-methyl-N-[methyl(propan-2-ylidene)-λ4-sulfanyl]benzenesulfonamide has a molecular weight of 259.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[methyl(propan-2-ylidene)-λ4-sulfanyl]benzenesulfonamide is sourced from PubChem (CID 123730201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).