(R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide

C12H17NOS — CID 129382914

IUPAC(R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide
SMILESCC(=N[S@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C12H17NOS/c1-10(11-8-6-5-7-9-11)13-15(14)12(2,3)4/h5-9H,1-4H3/t15-/m1/s1
InChIKeyZLLYZGSBXIAKFQ-OAHLLOKOSA-N
MW223.34 g/mol
LogP2.96
Rot. Bonds2

About (R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide

(R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide (PubChem CID 129382914) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is (R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide
PubChem CID129382914
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name(R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide
SMILESCC(=N[S@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C12H17NOS/c1-10(11-8-6-5-7-9-11)13-15(14)12(2,3)4/h5-9H,1-4H3/t15-/m1/s1
InChIKeyZLLYZGSBXIAKFQ-OAHLLOKOSA-N
XLogP2.96
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide (CID 129382914) is (R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide is CC(=N[S@](=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of (R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide?
The InChIKey is ZLLYZGSBXIAKFQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C12H17NOS/c1-10(11-8-6-5-7-9-11)13-15(14)12(2,3)4/h5-9H,1-4H3/t15-/m1/s1.
What are the key properties of (R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide?
(R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide has a molecular weight of 223.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide is sourced from PubChem (CID 129382914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).