N-cyclohexyl-1-diphenylphosphorylmethanethioamide

C19H22NOPS — CID 2776637

IUPACN-cyclohexyl-1-diphenylphosphorylmethanethioamide
SMILESO=P(C(=S)NC1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22NOPS/c21-22(17-12-6-2-7-13-17,18-14-8-3-9-15-18)19(23)20-16-10-4-1-5-11-16/h2-3,6-9,12-16H,1,4-5,10-11H2,(H,20,23)
InChIKeyYOWAKYKLZFJTHW-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.21
Rot. Bonds4

About N-cyclohexyl-1-diphenylphosphorylmethanethioamide

N-cyclohexyl-1-diphenylphosphorylmethanethioamide (PubChem CID 2776637) has the molecular formula C19H22NOPS and a molecular weight of 343.43 g/mol. Its IUPAC name is N-cyclohexyl-1-diphenylphosphorylmethanethioamide.

Molecular Properties

Compound NameN-cyclohexyl-1-diphenylphosphorylmethanethioamide
PubChem CID2776637
Molecular FormulaC19H22NOPS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC NameN-cyclohexyl-1-diphenylphosphorylmethanethioamide
SMILESO=P(C(=S)NC1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22NOPS/c21-22(17-12-6-2-7-13-17,18-14-8-3-9-15-18)19(23)20-16-10-4-1-5-11-16/h2-3,6-9,12-16H,1,4-5,10-11H2,(H,20,23)
InChIKeyYOWAKYKLZFJTHW-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-diphenylphosphorylmethanethioamide?
The IUPAC name of N-cyclohexyl-1-diphenylphosphorylmethanethioamide (CID 2776637) is N-cyclohexyl-1-diphenylphosphorylmethanethioamide.
What is the SMILES notation for N-cyclohexyl-1-diphenylphosphorylmethanethioamide?
The canonical SMILES for N-cyclohexyl-1-diphenylphosphorylmethanethioamide is O=P(C(=S)NC1CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-1-diphenylphosphorylmethanethioamide?
The InChIKey is YOWAKYKLZFJTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NOPS/c21-22(17-12-6-2-7-13-17,18-14-8-3-9-15-18)19(23)20-16-10-4-1-5-11-16/h2-3,6-9,12-16H,1,4-5,10-11H2,(H,20,23).
What are the key properties of N-cyclohexyl-1-diphenylphosphorylmethanethioamide?
N-cyclohexyl-1-diphenylphosphorylmethanethioamide has a molecular weight of 343.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-diphenylphosphorylmethanethioamide is sourced from PubChem (CID 2776637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).