N-methyl-N-[methyl(pentoxy)phosphinothioyl]methanamine

C8H20NOPS — CID 102312725

IUPACN-methyl-N-[methyl(pentoxy)phosphinothioyl]methanamine
SMILESCCCCCOP(C)(=S)N(C)C
InChIInChI=1S/C8H20NOPS/c1-5-6-7-8-10-11(4,12)9(2)3/h5-8H2,1-4H3
InChIKeyOYOWKKLYKFVFBB-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.69
Rot. Bonds6

About N-methyl-N-[methyl(pentoxy)phosphinothioyl]methanamine

N-methyl-N-[methyl(pentoxy)phosphinothioyl]methanamine (PubChem CID 102312725) has the molecular formula C8H20NOPS and a molecular weight of 209.29 g/mol. Its IUPAC name is N-methyl-N-[methyl(pentoxy)phosphinothioyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[methyl(pentoxy)phosphinothioyl]methanamine
PubChem CID102312725
Molecular FormulaC8H20NOPS
Molecular Weight209.29 g/mol
Exact Mass209.10
IUPAC NameN-methyl-N-[methyl(pentoxy)phosphinothioyl]methanamine
SMILESCCCCCOP(C)(=S)N(C)C
InChIInChI=1S/C8H20NOPS/c1-5-6-7-8-10-11(4,12)9(2)3/h5-8H2,1-4H3
InChIKeyOYOWKKLYKFVFBB-UHFFFAOYSA-N
XLogP2.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;tripentoxy(sulfanylidene)-λ5-phosphane
CID 88758051
(dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane
CID 12599758
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217451
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594
dimethoxy-pentoxy-sulfanylidene-λ5-phosphane
CID 54147848
hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane
CID 168851280
CID 158562006
CID 158562006
didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598537
calcium bis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane)
CID 87237721
potassium dihexoxy-sulfanylidene-sulfido-lambda5-phosphane
CID 18679
tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+)
CID 174201845

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[methyl(pentoxy)phosphinothioyl]methanamine?
The IUPAC name of N-methyl-N-[methyl(pentoxy)phosphinothioyl]methanamine (CID 102312725) is N-methyl-N-[methyl(pentoxy)phosphinothioyl]methanamine.
What is the SMILES notation for N-methyl-N-[methyl(pentoxy)phosphinothioyl]methanamine?
The canonical SMILES for N-methyl-N-[methyl(pentoxy)phosphinothioyl]methanamine is CCCCCOP(C)(=S)N(C)C.
What is the InChIKey of N-methyl-N-[methyl(pentoxy)phosphinothioyl]methanamine?
The InChIKey is OYOWKKLYKFVFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NOPS/c1-5-6-7-8-10-11(4,12)9(2)3/h5-8H2,1-4H3.
What are the key properties of N-methyl-N-[methyl(pentoxy)phosphinothioyl]methanamine?
N-methyl-N-[methyl(pentoxy)phosphinothioyl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[methyl(pentoxy)phosphinothioyl]methanamine is sourced from PubChem (CID 102312725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).