(NE,R)-2-methyl-N-(2-phenylethylidene)propane-2-sulfinamide

C12H17NOS — CID 10799129

IUPAC(NE,R)-2-methyl-N-(2-phenylethylidene)propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/Cc1ccccc1
InChIInChI=1S/C12H17NOS/c1-12(2,3)15(14)13-10-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/b13-10+/t15-/m1/s1
InChIKeyCFUOFKNOBNRBAS-NRMKIYEFSA-N
MW223.34 g/mol
LogP2.76
Rot. Bonds3

About (NE,R)-2-methyl-N-(2-phenylethylidene)propane-2-sulfinamide

(NE,R)-2-methyl-N-(2-phenylethylidene)propane-2-sulfinamide (PubChem CID 10799129) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is (NE,R)-2-methyl-N-(2-phenylethylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-2-methyl-N-(2-phenylethylidene)propane-2-sulfinamide
PubChem CID10799129
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name(NE,R)-2-methyl-N-(2-phenylethylidene)propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/Cc1ccccc1
InChIInChI=1S/C12H17NOS/c1-12(2,3)15(14)13-10-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/b13-10+/t15-/m1/s1
InChIKeyCFUOFKNOBNRBAS-NRMKIYEFSA-N
XLogP2.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (NE,R)-2-methyl-N-(2-phenylethylidene)propane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE,R)-2-methyl-N-(2-phenylethylidene)propane-2-sulfinamide?
The IUPAC name of (NE,R)-2-methyl-N-(2-phenylethylidene)propane-2-sulfinamide (CID 10799129) is (NE,R)-2-methyl-N-(2-phenylethylidene)propane-2-sulfinamide.
What is the SMILES notation for (NE,R)-2-methyl-N-(2-phenylethylidene)propane-2-sulfinamide?
The canonical SMILES for (NE,R)-2-methyl-N-(2-phenylethylidene)propane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C/Cc1ccccc1.
What is the InChIKey of (NE,R)-2-methyl-N-(2-phenylethylidene)propane-2-sulfinamide?
The InChIKey is CFUOFKNOBNRBAS-NRMKIYEFSA-N. The full InChI is InChI=1S/C12H17NOS/c1-12(2,3)15(14)13-10-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/b13-10+/t15-/m1/s1.
What are the key properties of (NE,R)-2-methyl-N-(2-phenylethylidene)propane-2-sulfinamide?
(NE,R)-2-methyl-N-(2-phenylethylidene)propane-2-sulfinamide has a molecular weight of 223.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-2-methyl-N-(2-phenylethylidene)propane-2-sulfinamide is sourced from PubChem (CID 10799129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).