N-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide

C35H34NO3PS — CID 155885272

IUPACN-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCN([C@@H](c1cc2c(cc1P(c1ccccc1)c1ccccc1)OCO2)c1cccc2ccccc12)S(=O)C(C)(C)C
InChIInChI=1S/C35H34NO3PS/c1-35(2,3)41(37)36(4)34(29-21-13-15-25-14-11-12-20-28(25)29)30-22-31-32(39-24-38-31)23-33(30)40(26-16-7-5-8-17-26)27-18-9-6-10-19-27/h5-23,34H,24H2,1-4H3/t34-,41?/m1/s1
InChIKeyGGIJOJJRUYYYEK-MPDQCYFASA-N
MW579.70 g/mol
LogP6.81
Rot. Bonds7

About N-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide

N-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide (PubChem CID 155885272) has the molecular formula C35H34NO3PS and a molecular weight of 579.70 g/mol. Its IUPAC name is N-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide
PubChem CID155885272
Molecular FormulaC35H34NO3PS
Molecular Weight579.70 g/mol
Exact Mass579.20
IUPAC NameN-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCN([C@@H](c1cc2c(cc1P(c1ccccc1)c1ccccc1)OCO2)c1cccc2ccccc12)S(=O)C(C)(C)C
InChIInChI=1S/C35H34NO3PS/c1-35(2,3)41(37)36(4)34(29-21-13-15-25-14-11-12-20-28(25)29)30-22-31-32(39-24-38-31)23-33(30)40(26-16-7-5-8-17-26)27-18-9-6-10-19-27/h5-23,34H,24H2,1-4H3/t34-,41?/m1/s1
InChIKeyGGIJOJJRUYYYEK-MPDQCYFASA-N
XLogP6.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.70
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide?
The IUPAC name of N-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide (CID 155885272) is N-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide.
What is the SMILES notation for N-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide?
The canonical SMILES for N-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide is CN([C@@H](c1cc2c(cc1P(c1ccccc1)c1ccccc1)OCO2)c1cccc2ccccc12)S(=O)C(C)(C)C.
What is the InChIKey of N-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide?
The InChIKey is GGIJOJJRUYYYEK-MPDQCYFASA-N. The full InChI is InChI=1S/C35H34NO3PS/c1-35(2,3)41(37)36(4)34(29-21-13-15-25-14-11-12-20-28(25)29)30-22-31-32(39-24-38-31)23-33(30)40(26-16-7-5-8-17-26)27-18-9-6-10-19-27/h5-23,34H,24H2,1-4H3/t34-,41?/m1/s1.
What are the key properties of N-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide?
N-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide has a molecular weight of 579.70 g/mol, XLogP of 6.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide is sourced from PubChem (CID 155885272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).