N-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine

C9H20NOPS — CID 12584056

IUPACN-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine
SMILESCOP(=S)(C1CCCCC1)N(C)C
InChIInChI=1S/C9H20NOPS/c1-10(2)12(13,11-3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyLNVFBWPDOLENNI-UHFFFAOYSA-N
MW221.31 g/mol
LogP2.84
Rot. Bonds3

About N-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine

N-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine (PubChem CID 12584056) has the molecular formula C9H20NOPS and a molecular weight of 221.31 g/mol. Its IUPAC name is N-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine
PubChem CID12584056
Molecular FormulaC9H20NOPS
Molecular Weight221.31 g/mol
Exact Mass221.10
IUPAC NameN-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine
SMILESCOP(=S)(C1CCCCC1)N(C)C
InChIInChI=1S/C9H20NOPS/c1-10(2)12(13,11-3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyLNVFBWPDOLENNI-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[methoxy(methyl)phosphinothioyl]-N-methylmethanamine
CID 13426246
cyclohexyl-methoxy-morpholin-4-yl-sulfanylidene-lambda5-phosphane
CID 590476
dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane
CID 14249029
[ethyl(methoxy)phosphoryl]cyclohexane
CID 66729718
[cyclohexyl(methoxy)phosphoryl] hypofluorite
CID 175039350
[cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane
CID 88546870
cyclohexyl dimethyl phosphate;N,N-dimethylmethanamine
CID 174717121
1-cycloheptyl-1,2,2-tricyclohexylhydrazine
CID 139397453
N-[(cyclohexylamino)-(dimethylamino)phosphoryl]cyclohexanamine
CID 23412889
N-[(cyclohexylamino)-methylphosphinothioyl]cyclohexanamine
CID 23412980
cyclohexyl-(dichloromethyl)-ethoxy-sulfanylidene-lambda5-phosphane
CID 11864446
1-methoxyethylcyclooctane
CID 58445596

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine?
The IUPAC name of N-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine (CID 12584056) is N-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine.
What is the SMILES notation for N-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine?
The canonical SMILES for N-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine is COP(=S)(C1CCCCC1)N(C)C.
What is the InChIKey of N-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine?
The InChIKey is LNVFBWPDOLENNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NOPS/c1-10(2)12(13,11-3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3.
What are the key properties of N-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine?
N-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine has a molecular weight of 221.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine is sourced from PubChem (CID 12584056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).