(S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide

C16H28NO2PS — CID 135006095

IUPAC(S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide
SMILESCCP(=O)(CC)[C@@](C)(N[S@@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H28NO2PS/c1-7-20(18,8-2)16(6,14-12-10-9-11-13-14)17-21(19)15(3,4)5/h9-13,17H,7-8H2,1-6H3/t16-,21+/m1/s1
InChIKeySNAKJZSYDOJYDU-IERDGZPVSA-N
MW329.45 g/mol
LogP4.31
Rot. Bonds6

About (S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide

(S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide (PubChem CID 135006095) has the molecular formula C16H28NO2PS and a molecular weight of 329.45 g/mol. Its IUPAC name is (S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide
PubChem CID135006095
Molecular FormulaC16H28NO2PS
Molecular Weight329.45 g/mol
Exact Mass329.16
IUPAC Name(S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide
SMILESCCP(=O)(CC)[C@@](C)(N[S@@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H28NO2PS/c1-7-20(18,8-2)16(6,14-12-10-9-11-13-14)17-21(19)15(3,4)5/h9-13,17H,7-8H2,1-6H3/t16-,21+/m1/s1
InChIKeySNAKJZSYDOJYDU-IERDGZPVSA-N
XLogP4.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(tert-butylsulfinylamino)-2-phenylbutanoic acid
CID 118565605
2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide
CID 15370362
(3R)-3-(tert-butylsulfinylamino)-3-phenylbutanoic acid
CID 59627207
(S)-N-[(2R)-2-diethylphosphoryl-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide
CID 135006567
N-tert-butylsulfinylbenzamide
CID 132577601
(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
N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide
CID 102290514
(S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethyl]propane-2-sulfinamide
CID 72714285
(S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide
CID 163788130
methyl 2-[[(R)-tert-butylsulfinyl]amino]-2-ethyl-4-phenylpent-4-enoate
CID 91219816

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide (CID 135006095) is (S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide is CCP(=O)(CC)[C@@](C)(N[S@@](=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of (S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is SNAKJZSYDOJYDU-IERDGZPVSA-N. The full InChI is InChI=1S/C16H28NO2PS/c1-7-20(18,8-2)16(6,14-12-10-9-11-13-14)17-21(19)15(3,4)5/h9-13,17H,7-8H2,1-6H3/t16-,21+/m1/s1.
What are the key properties of (S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 329.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135006095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).