(S)-N-(2,2-dimethyl-1-phenylpropylidene)-2-methylpropane-2-sulfinamide

C15H23NOS — CID 123778184

IUPAC(S)-N-(2,2-dimethyl-1-phenylpropylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)C(=N[S@@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H23NOS/c1-14(2,3)13(12-10-8-7-9-11-12)16-18(17)15(4,5)6/h7-11H,1-6H3/t18-/m0/s1
InChIKeyPDCJXJDEHWPHOQ-SFHVURJKSA-N
MW265.42 g/mol
LogP3.98
Rot. Bonds2

About (S)-N-(2,2-dimethyl-1-phenylpropylidene)-2-methylpropane-2-sulfinamide

(S)-N-(2,2-dimethyl-1-phenylpropylidene)-2-methylpropane-2-sulfinamide (PubChem CID 123778184) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is (S)-N-(2,2-dimethyl-1-phenylpropylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-(2,2-dimethyl-1-phenylpropylidene)-2-methylpropane-2-sulfinamide
PubChem CID123778184
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name(S)-N-(2,2-dimethyl-1-phenylpropylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)C(=N[S@@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H23NOS/c1-14(2,3)13(12-10-8-7-9-11-12)16-18(17)15(4,5)6/h7-11H,1-6H3/t18-/m0/s1
InChIKeyPDCJXJDEHWPHOQ-SFHVURJKSA-N
XLogP3.98
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.98
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 (S)-N-(2,2-dimethyl-1-phenylpropylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-(2,2-dimethyl-1-phenylpropylidene)-2-methylpropane-2-sulfinamide (CID 123778184) is (S)-N-(2,2-dimethyl-1-phenylpropylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-(2,2-dimethyl-1-phenylpropylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-(2,2-dimethyl-1-phenylpropylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)C(=N[S@@](=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of (S)-N-(2,2-dimethyl-1-phenylpropylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is PDCJXJDEHWPHOQ-SFHVURJKSA-N. The full InChI is InChI=1S/C15H23NOS/c1-14(2,3)13(12-10-8-7-9-11-12)16-18(17)15(4,5)6/h7-11H,1-6H3/t18-/m0/s1.
What are the key properties of (S)-N-(2,2-dimethyl-1-phenylpropylidene)-2-methylpropane-2-sulfinamide?
(S)-N-(2,2-dimethyl-1-phenylpropylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 265.42 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-(2,2-dimethyl-1-phenylpropylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 123778184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).