N-cyclohexyl-1-diphenylphosphinothioylformamide

C19H22NOPS — CID 132535100

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

About N-cyclohexyl-1-diphenylphosphinothioylformamide

N-cyclohexyl-1-diphenylphosphinothioylformamide (PubChem CID 132535100) has the molecular formula C19H22NOPS and a molecular weight of 343.43 g/mol. Its IUPAC name is N-cyclohexyl-1-diphenylphosphinothioylformamide.

Molecular Properties

Compound NameN-cyclohexyl-1-diphenylphosphinothioylformamide
PubChem CID132535100
Molecular FormulaC19H22NOPS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC NameN-cyclohexyl-1-diphenylphosphinothioylformamide
SMILESO=C(NC1CCCCC1)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22NOPS/c21-19(20-16-10-4-1-5-11-16)22(23,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2-3,6-9,12-16H,1,4-5,10-11H2,(H,20,21)
InChIKeyBSFKZYWHFFBQNV-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
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-cyclohexyl-1-diphenylphosphinothioylformamide?
The IUPAC name of N-cyclohexyl-1-diphenylphosphinothioylformamide (CID 132535100) is N-cyclohexyl-1-diphenylphosphinothioylformamide.
What is the SMILES notation for N-cyclohexyl-1-diphenylphosphinothioylformamide?
The canonical SMILES for N-cyclohexyl-1-diphenylphosphinothioylformamide is O=C(NC1CCCCC1)P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-1-diphenylphosphinothioylformamide?
The InChIKey is BSFKZYWHFFBQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NOPS/c21-19(20-16-10-4-1-5-11-16)22(23,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2-3,6-9,12-16H,1,4-5,10-11H2,(H,20,21).
What are the key properties of N-cyclohexyl-1-diphenylphosphinothioylformamide?
N-cyclohexyl-1-diphenylphosphinothioylformamide has a molecular weight of 343.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-diphenylphosphinothioylformamide is sourced from PubChem (CID 132535100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).