(R)-2-methyl-N-[(S)-phenyl-(2-propan-2-ylphenyl)methyl]propane-2-sulfinamide

C20H27NOS — CID 46187788

IUPAC(R)-2-methyl-N-[(S)-phenyl-(2-propan-2-ylphenyl)methyl]propane-2-sulfinamide
SMILESCC(C)c1ccccc1[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H27NOS/c1-15(2)17-13-9-10-14-18(17)19(16-11-7-6-8-12-16)21-23(22)20(3,4)5/h6-15,19,21H,1-5H3/t19-,23+/m0/s1
InChIKeyLBBHBUFVBJXASX-WMZHIEFXSA-N
MW329.51 g/mol
LogP4.95
Rot. Bonds5

About (R)-2-methyl-N-[(S)-phenyl-(2-propan-2-ylphenyl)methyl]propane-2-sulfinamide

(R)-2-methyl-N-[(S)-phenyl-(2-propan-2-ylphenyl)methyl]propane-2-sulfinamide (PubChem CID 46187788) has the molecular formula C20H27NOS and a molecular weight of 329.51 g/mol. Its IUPAC name is (R)-2-methyl-N-[(S)-phenyl-(2-propan-2-ylphenyl)methyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(S)-phenyl-(2-propan-2-ylphenyl)methyl]propane-2-sulfinamide
PubChem CID46187788
Molecular FormulaC20H27NOS
Molecular Weight329.51 g/mol
Exact Mass329.18
IUPAC Name(R)-2-methyl-N-[(S)-phenyl-(2-propan-2-ylphenyl)methyl]propane-2-sulfinamide
SMILESCC(C)c1ccccc1[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H27NOS/c1-15(2)17-13-9-10-14-18(17)19(16-11-7-6-8-12-16)21-23(22)20(3,4)5/h6-15,19,21H,1-5H3/t19-,23+/m0/s1
InChIKeyLBBHBUFVBJXASX-WMZHIEFXSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(S)-phenyl-(2-propan-2-ylphenyl)methyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(S)-phenyl-(2-propan-2-ylphenyl)methyl]propane-2-sulfinamide (CID 46187788) is (R)-2-methyl-N-[(S)-phenyl-(2-propan-2-ylphenyl)methyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(S)-phenyl-(2-propan-2-ylphenyl)methyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(S)-phenyl-(2-propan-2-ylphenyl)methyl]propane-2-sulfinamide is CC(C)c1ccccc1[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of (R)-2-methyl-N-[(S)-phenyl-(2-propan-2-ylphenyl)methyl]propane-2-sulfinamide?
The InChIKey is LBBHBUFVBJXASX-WMZHIEFXSA-N. The full InChI is InChI=1S/C20H27NOS/c1-15(2)17-13-9-10-14-18(17)19(16-11-7-6-8-12-16)21-23(22)20(3,4)5/h6-15,19,21H,1-5H3/t19-,23+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(S)-phenyl-(2-propan-2-ylphenyl)methyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(S)-phenyl-(2-propan-2-ylphenyl)methyl]propane-2-sulfinamide has a molecular weight of 329.51 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(S)-phenyl-(2-propan-2-ylphenyl)methyl]propane-2-sulfinamide is sourced from PubChem (CID 46187788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).