(S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide

C37H39NOP2S — CID 163355351

IUPAC(S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCN([C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@@](=O)C(C)(C)C
InChIInChI=1S/C37H39NOP2S/c1-37(2,3)42(39)38(4)35(29-40(30-19-9-5-10-20-30)31-21-11-6-12-22-31)34-27-17-18-28-36(34)41(32-23-13-7-14-24-32)33-25-15-8-16-26-33/h5-28,35H,29H2,1-4H3/t35-,42+/m1/s1
InChIKeyBRPXMMWNFBEZDO-DFABAFTESA-N
MW607.74 g/mol
LogP7.01
Rot. Bonds10

About (S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide

(S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide (PubChem CID 163355351) has the molecular formula C37H39NOP2S and a molecular weight of 607.74 g/mol. Its IUPAC name is (S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide
PubChem CID163355351
Molecular FormulaC37H39NOP2S
Molecular Weight607.74 g/mol
Exact Mass607.22
IUPAC Name(S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCN([C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@@](=O)C(C)(C)C
InChIInChI=1S/C37H39NOP2S/c1-37(2,3)42(39)38(4)35(29-40(30-19-9-5-10-20-30)31-21-11-6-12-22-31)34-27-17-18-28-36(34)41(32-23-13-7-14-24-32)33-25-15-8-16-26-33/h5-28,35H,29H2,1-4H3/t35-,42+/m1/s1
InChIKeyBRPXMMWNFBEZDO-DFABAFTESA-N
XLogP7.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.74
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide
CID 156599802
(R)-N-[(1R)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide
CID 163340342
N-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide
CID 162393817
(R)-N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 155293926
N-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 162393839
N-[(1R)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 154728529
N-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 155885272
N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 154703010
N-[(S)-(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-(4-methoxyphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 162393922
N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 162393893
(R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 164887404
(R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 155293958

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide (CID 163355351) is (S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide is CN([C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide?
The InChIKey is BRPXMMWNFBEZDO-DFABAFTESA-N. The full InChI is InChI=1S/C37H39NOP2S/c1-37(2,3)42(39)38(4)35(29-40(30-19-9-5-10-20-30)31-21-11-6-12-22-31)34-27-17-18-28-36(34)41(32-23-13-7-14-24-32)33-25-15-8-16-26-33/h5-28,35H,29H2,1-4H3/t35-,42+/m1/s1.
What are the key properties of (S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide?
(S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide has a molecular weight of 607.74 g/mol, XLogP of 7.01, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide is sourced from PubChem (CID 163355351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).