(R)-N-[4-(3,4-dimethylphenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide

C16H25NOS — CID 158735809

IUPAC(R)-N-[4-(3,4-dimethylphenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide
SMILESCC(CCc1ccc(C)c(C)c1)=N[S@](=O)C(C)(C)C
InChIInChI=1S/C16H25NOS/c1-12-7-9-15(11-13(12)2)10-8-14(3)17-19(18)16(4,5)6/h7,9,11H,8,10H2,1-6H3/t19-/m1/s1
InChIKeyJILWFGYDPWSSJO-LJQANCHMSA-N
MW279.45 g/mol
LogP4.16
Rot. Bonds4

About (R)-N-[4-(3,4-dimethylphenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide

(R)-N-[4-(3,4-dimethylphenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide (PubChem CID 158735809) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is (R)-N-[4-(3,4-dimethylphenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[4-(3,4-dimethylphenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide
PubChem CID158735809
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name(R)-N-[4-(3,4-dimethylphenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide
SMILESCC(CCc1ccc(C)c(C)c1)=N[S@](=O)C(C)(C)C
InChIInChI=1S/C16H25NOS/c1-12-7-9-15(11-13(12)2)10-8-14(3)17-19(18)16(4,5)6/h7,9,11H,8,10H2,1-6H3/t19-/m1/s1
InChIKeyJILWFGYDPWSSJO-LJQANCHMSA-N
XLogP4.16
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethylphenyl)butan-2-one;propane
CID 143070567
3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)propan-1-one
CID 24726455
4-(10,10-dimethylundecyl)-1,2-dimethylbenzene
CID 150895968
6-(3,4-dimethylphenyl)-2-methylhexan-3-one
CID 64504298
4-(3,4-dimethylphenyl)butyl 2,2-dimethylpropanoate
CID 142678963
4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
CID 162497681
3-(3,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726448
1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one
CID 24726480
3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 100549740
1,2-dimethyl-4-octylbenzene
CID 14044616
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one
CID 116581156

Frequently Asked Questions

What is the IUPAC name of (R)-N-[4-(3,4-dimethylphenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[4-(3,4-dimethylphenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide (CID 158735809) is (R)-N-[4-(3,4-dimethylphenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[4-(3,4-dimethylphenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[4-(3,4-dimethylphenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide is CC(CCc1ccc(C)c(C)c1)=N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[4-(3,4-dimethylphenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is JILWFGYDPWSSJO-LJQANCHMSA-N. The full InChI is InChI=1S/C16H25NOS/c1-12-7-9-15(11-13(12)2)10-8-14(3)17-19(18)16(4,5)6/h7,9,11H,8,10H2,1-6H3/t19-/m1/s1.
What are the key properties of (R)-N-[4-(3,4-dimethylphenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[4-(3,4-dimethylphenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 279.45 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[4-(3,4-dimethylphenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 158735809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).