(S)-N-[(2R)-2-diethylphosphoryl-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide

C14H32NO2PS — CID 135006567

IUPAC(S)-N-[(2R)-2-diethylphosphoryl-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCCP(=O)(CC)[C@](C)(CC(C)C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C14H32NO2PS/c1-9-18(16,10-2)14(8,11-12(3)4)15-19(17)13(5,6)7/h12,15H,9-11H2,1-8H3/t14-,19+/m1/s1
InChIKeyRPHCUDRPIDOYKA-KUHUBIRLSA-N
MW309.46 g/mol
LogP4.20
Rot. Bonds7

About (S)-N-[(2R)-2-diethylphosphoryl-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide

(S)-N-[(2R)-2-diethylphosphoryl-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 135006567) has the molecular formula C14H32NO2PS and a molecular weight of 309.46 g/mol. Its IUPAC name is (S)-N-[(2R)-2-diethylphosphoryl-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(2R)-2-diethylphosphoryl-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID135006567
Molecular FormulaC14H32NO2PS
Molecular Weight309.46 g/mol
Exact Mass309.19
IUPAC Name(S)-N-[(2R)-2-diethylphosphoryl-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCCP(=O)(CC)[C@](C)(CC(C)C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C14H32NO2PS/c1-9-18(16,10-2)14(8,11-12(3)4)15-19(17)13(5,6)7/h12,15H,9-11H2,1-8H3/t14-,19+/m1/s1
InChIKeyRPHCUDRPIDOYKA-KUHUBIRLSA-N
XLogP4.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.20
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

(S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide
CID 135006095
(R)-N-[(2R)-butan-2-yl]-2-methylpropane-2-sulfinamide
CID 135056564
(S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-2,3-dimethylpentan-2-yl]propane-2-sulfinamide
CID 139193295
N-(2,3-dimethylheptan-3-yl)-2-methylpropane-2-sulfinamide
CID 134975752
(S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-2,3-dimethylpentan-2-yl]propane-2-sulfinamide
CID 139193296
2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide
CID 101468580
carbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide
CID 157064590
N-[(3S)-2,3-dimethyloct-4-yn-3-yl]-2-methylpropane-2-sulfinamide
CID 101415067
(S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide
CID 135057244
methyl (3S,5S)-3-(tert-butylsulfinylamino)-3,5-dimethylheptanoate
CID 87760260
(3R)-3-(tert-butylsulfinylamino)-3,4-dimethylpentanoic acid
CID 53487571
N-[(2R)-hexan-2-yl]-2-methylpropane-2-sulfinamide
CID 101035801

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(2R)-2-diethylphosphoryl-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(2R)-2-diethylphosphoryl-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide (CID 135006567) is (S)-N-[(2R)-2-diethylphosphoryl-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(2R)-2-diethylphosphoryl-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(2R)-2-diethylphosphoryl-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide is CCP(=O)(CC)[C@](C)(CC(C)C)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-N-[(2R)-2-diethylphosphoryl-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is RPHCUDRPIDOYKA-KUHUBIRLSA-N. The full InChI is InChI=1S/C14H32NO2PS/c1-9-18(16,10-2)14(8,11-12(3)4)15-19(17)13(5,6)7/h12,15H,9-11H2,1-8H3/t14-,19+/m1/s1.
What are the key properties of (S)-N-[(2R)-2-diethylphosphoryl-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide?
(S)-N-[(2R)-2-diethylphosphoryl-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 309.46 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(2R)-2-diethylphosphoryl-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135006567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).