2-methyl-N-(4-methylphenyl)propane-2-sulfinamide

C11H17NOS — CID 76528798

IUPAC2-methyl-N-(4-methylphenyl)propane-2-sulfinamide
SMILESCc1ccc(NS(=O)C(C)(C)C)cc1
InChIInChI=1S/C11H17NOS/c1-9-5-7-10(8-6-9)12-14(13)11(2,3)4/h5-8,12H,1-4H3
InChIKeyLBSVTZPZFDFKIY-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.87
Rot. Bonds2

About 2-methyl-N-(4-methylphenyl)propane-2-sulfinamide

2-methyl-N-(4-methylphenyl)propane-2-sulfinamide (PubChem CID 76528798) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)propane-2-sulfinamide
PubChem CID76528798
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-methyl-N-(4-methylphenyl)propane-2-sulfinamide
SMILESCc1ccc(NS(=O)C(C)(C)C)cc1
InChIInChI=1S/C11H17NOS/c1-9-5-7-10(8-6-9)12-14(13)11(2,3)4/h5-8,12H,1-4H3
InChIKeyLBSVTZPZFDFKIY-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)propane-2-sulfinamide (CID 76528798) is 2-methyl-N-(4-methylphenyl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)propane-2-sulfinamide is Cc1ccc(NS(=O)C(C)(C)C)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)propane-2-sulfinamide?
The InChIKey is LBSVTZPZFDFKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9-5-7-10(8-6-9)12-14(13)11(2,3)4/h5-8,12H,1-4H3.
What are the key properties of 2-methyl-N-(4-methylphenyl)propane-2-sulfinamide?
2-methyl-N-(4-methylphenyl)propane-2-sulfinamide has a molecular weight of 211.33 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)propane-2-sulfinamide is sourced from PubChem (CID 76528798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).