(NE)-2-methyl-N-[(2-methylphenyl)methylidene]propane-2-sulfonamide

C12H17NO2S — CID 135073249

IUPAC(NE)-2-methyl-N-[(2-methylphenyl)methylidene]propane-2-sulfonamide
SMILESCc1ccccc1/C=N/S(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H17NO2S/c1-10-7-5-6-8-11(10)9-13-16(14,15)12(2,3)4/h5-9H,1-4H3/b13-9+
InChIKeyGEMQMWKNYQMWOJ-UKTHLTGXSA-N
MW239.34 g/mol
LogP2.54
Rot. Bonds2

About (NE)-2-methyl-N-[(2-methylphenyl)methylidene]propane-2-sulfonamide

(NE)-2-methyl-N-[(2-methylphenyl)methylidene]propane-2-sulfonamide (PubChem CID 135073249) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is (NE)-2-methyl-N-[(2-methylphenyl)methylidene]propane-2-sulfonamide.

Molecular Properties

Compound Name(NE)-2-methyl-N-[(2-methylphenyl)methylidene]propane-2-sulfonamide
PubChem CID135073249
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name(NE)-2-methyl-N-[(2-methylphenyl)methylidene]propane-2-sulfonamide
SMILESCc1ccccc1/C=N/S(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H17NO2S/c1-10-7-5-6-8-11(10)9-13-16(14,15)12(2,3)4/h5-9H,1-4H3/b13-9+
InChIKeyGEMQMWKNYQMWOJ-UKTHLTGXSA-N
XLogP2.54
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-2-methyl-N-[(2-methylphenyl)methylidene]propane-2-sulfonamide?
The IUPAC name of (NE)-2-methyl-N-[(2-methylphenyl)methylidene]propane-2-sulfonamide (CID 135073249) is (NE)-2-methyl-N-[(2-methylphenyl)methylidene]propane-2-sulfonamide.
What is the SMILES notation for (NE)-2-methyl-N-[(2-methylphenyl)methylidene]propane-2-sulfonamide?
The canonical SMILES for (NE)-2-methyl-N-[(2-methylphenyl)methylidene]propane-2-sulfonamide is Cc1ccccc1/C=N/S(=O)(=O)C(C)(C)C.
What is the InChIKey of (NE)-2-methyl-N-[(2-methylphenyl)methylidene]propane-2-sulfonamide?
The InChIKey is GEMQMWKNYQMWOJ-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10-7-5-6-8-11(10)9-13-16(14,15)12(2,3)4/h5-9H,1-4H3/b13-9+.
What are the key properties of (NE)-2-methyl-N-[(2-methylphenyl)methylidene]propane-2-sulfonamide?
(NE)-2-methyl-N-[(2-methylphenyl)methylidene]propane-2-sulfonamide has a molecular weight of 239.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-2-methyl-N-[(2-methylphenyl)methylidene]propane-2-sulfonamide is sourced from PubChem (CID 135073249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).