2-methyl-N-[(E)-6-methyl-2-(4-methylphenyl)hept-2-en-4-ylidene]propane-2-sulfinamide

C19H29NOS — CID 123383336

IUPAC2-methyl-N-[(E)-6-methyl-2-(4-methylphenyl)hept-2-en-4-ylidene]propane-2-sulfinamide
SMILESC/C(=C\C(CC(C)C)=NS(=O)C(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C19H29NOS/c1-14(2)12-18(20-22(21)19(5,6)7)13-16(4)17-10-8-15(3)9-11-17/h8-11,13-14H,12H2,1-7H3/b16-13+,20-18?
InChIKeyGOQDACIHKPFACV-OJDGJHKISA-N
MW319.51 g/mol
LogP5.35
Rot. Bonds5

About 2-methyl-N-[(E)-6-methyl-2-(4-methylphenyl)hept-2-en-4-ylidene]propane-2-sulfinamide

2-methyl-N-[(E)-6-methyl-2-(4-methylphenyl)hept-2-en-4-ylidene]propane-2-sulfinamide (PubChem CID 123383336) has the molecular formula C19H29NOS and a molecular weight of 319.51 g/mol. Its IUPAC name is 2-methyl-N-[(E)-6-methyl-2-(4-methylphenyl)hept-2-en-4-ylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-6-methyl-2-(4-methylphenyl)hept-2-en-4-ylidene]propane-2-sulfinamide
PubChem CID123383336
Molecular FormulaC19H29NOS
Molecular Weight319.51 g/mol
Exact Mass319.20
IUPAC Name2-methyl-N-[(E)-6-methyl-2-(4-methylphenyl)hept-2-en-4-ylidene]propane-2-sulfinamide
SMILESC/C(=C\C(CC(C)C)=NS(=O)C(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C19H29NOS/c1-14(2)12-18(20-22(21)19(5,6)7)13-16(4)17-10-8-15(3)9-11-17/h8-11,13-14H,12H2,1-7H3/b16-13+,20-18?
InChIKeyGOQDACIHKPFACV-OJDGJHKISA-N
XLogP5.35
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.51
LogP ≤ 55.35
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 2-methyl-N-[(E)-6-methyl-2-(4-methylphenyl)hept-2-en-4-ylidene]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(E)-6-methyl-2-(4-methylphenyl)hept-2-en-4-ylidene]propane-2-sulfinamide (CID 123383336) is 2-methyl-N-[(E)-6-methyl-2-(4-methylphenyl)hept-2-en-4-ylidene]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(E)-6-methyl-2-(4-methylphenyl)hept-2-en-4-ylidene]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(E)-6-methyl-2-(4-methylphenyl)hept-2-en-4-ylidene]propane-2-sulfinamide is C/C(=C\C(CC(C)C)=NS(=O)C(C)(C)C)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-N-[(E)-6-methyl-2-(4-methylphenyl)hept-2-en-4-ylidene]propane-2-sulfinamide?
The InChIKey is GOQDACIHKPFACV-OJDGJHKISA-N. The full InChI is InChI=1S/C19H29NOS/c1-14(2)12-18(20-22(21)19(5,6)7)13-16(4)17-10-8-15(3)9-11-17/h8-11,13-14H,12H2,1-7H3/b16-13+,20-18?.
What are the key properties of 2-methyl-N-[(E)-6-methyl-2-(4-methylphenyl)hept-2-en-4-ylidene]propane-2-sulfinamide?
2-methyl-N-[(E)-6-methyl-2-(4-methylphenyl)hept-2-en-4-ylidene]propane-2-sulfinamide has a molecular weight of 319.51 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-6-methyl-2-(4-methylphenyl)hept-2-en-4-ylidene]propane-2-sulfinamide is sourced from PubChem (CID 123383336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).