(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide

C14H23NOS — CID 15455980

IUPAC(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
SMILESCC(C)[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C14H23NOS/c1-11(2)13(12-9-7-6-8-10-12)15-17(16)14(3,4)5/h6-11,13,15H,1-5H3/t13-,17-/m1/s1
InChIKeyCMBXJGONNDKDBN-CXAGYDPISA-N
MW253.41 g/mol
LogP3.44
Rot. Bonds4

About (R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide (PubChem CID 15455980) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
PubChem CID15455980
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
SMILESCC(C)[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C14H23NOS/c1-11(2)13(12-9-7-6-8-10-12)15-17(16)14(3,4)5/h6-11,13,15H,1-5H3/t13-,17-/m1/s1
InChIKeyCMBXJGONNDKDBN-CXAGYDPISA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide
CID 11348533
(S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide
CID 11348534
methyl 4-[(1R)-1-[[(R)-tert-butylsulfinyl]amino]-2-methylpropyl]benzoate
CID 71664952
methyl 3-(tert-butylsulfinylamino)-2-fluoro-3-phenylpropanoate
CID 122210226
tert-butyl 3-[(1R)-1-[[(S)-tert-butylsulfinyl]amino]-2-methylpropyl]benzoate
CID 67395736
(R)-2-methyl-N-[(3R,4S)-2-methyl-4-phenylhex-5-en-3-yl]propane-2-sulfinamide
CID 134968659
(S)-N-[(1R)-1-(4-chloro-3,5-dimethylphenyl)-2-methylpropyl]-2-methylpropane-2-sulfinamide
CID 163838446
(S)-N-[(1S,2S)-1-(4-methoxyphenyl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 134941098
(R)-2-methyl-N-[(1S)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 135086048
2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 122211944
(R)-N-[(1S,2R)-1-(4-chlorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 135061289
N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 89462500

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide (CID 15455980) is (R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide is CC(C)[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of (R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide?
The InChIKey is CMBXJGONNDKDBN-CXAGYDPISA-N. The full InChI is InChI=1S/C14H23NOS/c1-11(2)13(12-9-7-6-8-10-12)15-17(16)14(3,4)5/h6-11,13,15H,1-5H3/t13-,17-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide has a molecular weight of 253.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide is sourced from PubChem (CID 15455980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).