2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide

C15H25NOS — CID 15370362

IUPAC2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide
SMILESCC(C)[C@@](C)(NS(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H25NOS/c1-12(2)15(6,13-10-8-7-9-11-13)16-18(17)14(3,4)5/h7-12,16H,1-6H3/t15-,18?/m1/s1
InChIKeyCMJZEGBEARKVPP-NNJIEVJOSA-N
MW267.44 g/mol
LogP3.61
Rot. Bonds4

About 2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide

2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide (PubChem CID 15370362) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide
PubChem CID15370362
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide
SMILESCC(C)[C@@](C)(NS(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H25NOS/c1-12(2)15(6,13-10-8-7-9-11-13)16-18(17)14(3,4)5/h7-12,16H,1-6H3/t15-,18?/m1/s1
InChIKeyCMJZEGBEARKVPP-NNJIEVJOSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 25170437
(3R)-3-(tert-butylsulfinylamino)-3-phenylbutanoic acid
CID 59627207
(S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide
CID 135006095
2-(tert-butylsulfinylamino)-2-phenylbutanoic acid
CID 118565605
N-[(2S)-2-(2-fluorophenyl)-3-methyl-4-oxobutan-2-yl]-2-methylpropane-2-sulfinamide
CID 126733747
(R)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-isocyano-1-phenylethyl]propane-2-sulfinamide
CID 134996941
(R)-2-methyl-N-[(1S)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]propane-2-sulfinamide
CID 71659595
N-[(1S)-1-cyano-2,2,2-trifluoro-1-phenylethyl]-2-methylpropane-2-sulfinamide
CID 102178621
(2S,3R)-3-[[(R)-tert-butylsulfinyl]amino]-2-fluoro-3-(2-fluorophenyl)butanoic acid
CID 121334914
(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
CID 15455980
(S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethyl]propane-2-sulfinamide
CID 72714285
(R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide
CID 11247321

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide (CID 15370362) is 2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide is CC(C)[C@@](C)(NS(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide?
The InChIKey is CMJZEGBEARKVPP-NNJIEVJOSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12(2)15(6,13-10-8-7-9-11-13)16-18(17)14(3,4)5/h7-12,16H,1-6H3/t15-,18?/m1/s1.
What are the key properties of 2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide?
2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide has a molecular weight of 267.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 15370362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).