N-[1-[4-[ethoxy(methyl)phosphoryl]phenyl]propyl]-2-methylpropane-2-sulfinamide

C16H28NO3PS — CID 123717593

IUPACN-[1-[4-[ethoxy(methyl)phosphoryl]phenyl]propyl]-2-methylpropane-2-sulfinamide
SMILESCCOP(C)(=O)c1ccc(C(CC)NS(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H28NO3PS/c1-7-15(17-22(19)16(3,4)5)13-9-11-14(12-10-13)21(6,18)20-8-2/h9-12,15,17H,7-8H2,1-6H3
InChIKeyHSVYCIYBDMLPST-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.76
Rot. Bonds7

About N-[1-[4-[ethoxy(methyl)phosphoryl]phenyl]propyl]-2-methylpropane-2-sulfinamide

N-[1-[4-[ethoxy(methyl)phosphoryl]phenyl]propyl]-2-methylpropane-2-sulfinamide (PubChem CID 123717593) has the molecular formula C16H28NO3PS and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[1-[4-[ethoxy(methyl)phosphoryl]phenyl]propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-[4-[ethoxy(methyl)phosphoryl]phenyl]propyl]-2-methylpropane-2-sulfinamide
PubChem CID123717593
Molecular FormulaC16H28NO3PS
Molecular Weight345.45 g/mol
Exact Mass345.15
IUPAC NameN-[1-[4-[ethoxy(methyl)phosphoryl]phenyl]propyl]-2-methylpropane-2-sulfinamide
SMILESCCOP(C)(=O)c1ccc(C(CC)NS(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H28NO3PS/c1-7-15(17-22(19)16(3,4)5)13-9-11-14(12-10-13)21(6,18)20-8-2/h9-12,15,17H,7-8H2,1-6H3
InChIKeyHSVYCIYBDMLPST-UHFFFAOYSA-N
XLogP3.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
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-[1-[4-[ethoxy(methyl)phosphoryl]phenyl]propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-[4-[ethoxy(methyl)phosphoryl]phenyl]propyl]-2-methylpropane-2-sulfinamide (CID 123717593) is N-[1-[4-[ethoxy(methyl)phosphoryl]phenyl]propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-[4-[ethoxy(methyl)phosphoryl]phenyl]propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-[4-[ethoxy(methyl)phosphoryl]phenyl]propyl]-2-methylpropane-2-sulfinamide is CCOP(C)(=O)c1ccc(C(CC)NS(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[1-[4-[ethoxy(methyl)phosphoryl]phenyl]propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is HSVYCIYBDMLPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28NO3PS/c1-7-15(17-22(19)16(3,4)5)13-9-11-14(12-10-13)21(6,18)20-8-2/h9-12,15,17H,7-8H2,1-6H3.
What are the key properties of N-[1-[4-[ethoxy(methyl)phosphoryl]phenyl]propyl]-2-methylpropane-2-sulfinamide?
N-[1-[4-[ethoxy(methyl)phosphoryl]phenyl]propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 345.45 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[ethoxy(methyl)phosphoryl]phenyl]propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 123717593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).