N-methyl-N-[(2-morpholin-4-ylcyclohexen-1-yl)-phenylphosphinothioyl]methanamine

C18H27N2OPS — CID 2348885

IUPACN-methyl-N-[(2-morpholin-4-ylcyclohexen-1-yl)-phenylphosphinothioyl]methanamine
SMILESCN(C)P(=S)(C1=C(N2CCOCC2)CCCC1)c1ccccc1
InChIInChI=1S/C18H27N2OPS/c1-19(2)22(23,16-8-4-3-5-9-16)18-11-7-6-10-17(18)20-12-14-21-15-13-20/h3-5,8-9H,6-7,10-15H2,1-2H3
InChIKeyVVXMBRVFZMFNHW-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.39
Rot. Bonds4

About N-methyl-N-[(2-morpholin-4-ylcyclohexen-1-yl)-phenylphosphinothioyl]methanamine

N-methyl-N-[(2-morpholin-4-ylcyclohexen-1-yl)-phenylphosphinothioyl]methanamine (PubChem CID 2348885) has the molecular formula C18H27N2OPS and a molecular weight of 350.47 g/mol. Its IUPAC name is N-methyl-N-[(2-morpholin-4-ylcyclohexen-1-yl)-phenylphosphinothioyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-morpholin-4-ylcyclohexen-1-yl)-phenylphosphinothioyl]methanamine
PubChem CID2348885
Molecular FormulaC18H27N2OPS
Molecular Weight350.47 g/mol
Exact Mass350.16
IUPAC NameN-methyl-N-[(2-morpholin-4-ylcyclohexen-1-yl)-phenylphosphinothioyl]methanamine
SMILESCN(C)P(=S)(C1=C(N2CCOCC2)CCCC1)c1ccccc1
InChIInChI=1S/C18H27N2OPS/c1-19(2)22(23,16-8-4-3-5-9-16)18-11-7-6-10-17(18)20-12-14-21-15-13-20/h3-5,8-9H,6-7,10-15H2,1-2H3
InChIKeyVVXMBRVFZMFNHW-UHFFFAOYSA-N
XLogP3.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.39
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-methyl-N-[(2-morpholin-4-ylcyclohexen-1-yl)-phenylphosphinothioyl]methanamine?
The IUPAC name of N-methyl-N-[(2-morpholin-4-ylcyclohexen-1-yl)-phenylphosphinothioyl]methanamine (CID 2348885) is N-methyl-N-[(2-morpholin-4-ylcyclohexen-1-yl)-phenylphosphinothioyl]methanamine.
What is the SMILES notation for N-methyl-N-[(2-morpholin-4-ylcyclohexen-1-yl)-phenylphosphinothioyl]methanamine?
The canonical SMILES for N-methyl-N-[(2-morpholin-4-ylcyclohexen-1-yl)-phenylphosphinothioyl]methanamine is CN(C)P(=S)(C1=C(N2CCOCC2)CCCC1)c1ccccc1.
What is the InChIKey of N-methyl-N-[(2-morpholin-4-ylcyclohexen-1-yl)-phenylphosphinothioyl]methanamine?
The InChIKey is VVXMBRVFZMFNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N2OPS/c1-19(2)22(23,16-8-4-3-5-9-16)18-11-7-6-10-17(18)20-12-14-21-15-13-20/h3-5,8-9H,6-7,10-15H2,1-2H3.
What are the key properties of N-methyl-N-[(2-morpholin-4-ylcyclohexen-1-yl)-phenylphosphinothioyl]methanamine?
N-methyl-N-[(2-morpholin-4-ylcyclohexen-1-yl)-phenylphosphinothioyl]methanamine has a molecular weight of 350.47 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-morpholin-4-ylcyclohexen-1-yl)-phenylphosphinothioyl]methanamine is sourced from PubChem (CID 2348885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).