N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide

C18H24NO2PS — CID 11725380

IUPACN-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide
SMILESCC(C)[C@@H](CP(c1ccccc1)c1ccccc1)NS(C)(=O)=O
InChIInChI=1S/C18H24NO2PS/c1-15(2)18(19-23(3,20)21)14-22(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18-19H,14H2,1-3H3/t18-/m1/s1
InChIKeyRJMHGJKZXWWOOB-GOSISDBHSA-N
MW349.44 g/mol
LogP2.69
Rot. Bonds7

About N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide

N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide (PubChem CID 11725380) has the molecular formula C18H24NO2PS and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide
PubChem CID11725380
Molecular FormulaC18H24NO2PS
Molecular Weight349.44 g/mol
Exact Mass349.13
IUPAC NameN-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide
SMILESCC(C)[C@@H](CP(c1ccccc1)c1ccccc1)NS(C)(=O)=O
InChIInChI=1S/C18H24NO2PS/c1-15(2)18(19-23(3,20)21)14-22(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18-19H,14H2,1-3H3/t18-/m1/s1
InChIKeyRJMHGJKZXWWOOB-GOSISDBHSA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide (CID 11725380) is N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide is CC(C)[C@@H](CP(c1ccccc1)c1ccccc1)NS(C)(=O)=O.
What is the InChIKey of N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide?
The InChIKey is RJMHGJKZXWWOOB-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24NO2PS/c1-15(2)18(19-23(3,20)21)14-22(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18-19H,14H2,1-3H3/t18-/m1/s1.
What are the key properties of N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide?
N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide has a molecular weight of 349.44 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide is sourced from PubChem (CID 11725380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).