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

C4H12NOPS — CID 13426246

IUPACN-[methoxy(methyl)phosphinothioyl]-N-methylmethanamine
SMILESCOP(C)(=S)N(C)C
InChIInChI=1S/C4H12NOPS/c1-5(2)7(4,8)6-3/h1-4H3
InChIKeyKRQQGZQHNBUUBZ-UHFFFAOYSA-N
MW153.19 g/mol
LogP1.13
Rot. Bonds2

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

N-[methoxy(methyl)phosphinothioyl]-N-methylmethanamine (PubChem CID 13426246) has the molecular formula C4H12NOPS and a molecular weight of 153.19 g/mol. Its IUPAC name is N-[methoxy(methyl)phosphinothioyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[methoxy(methyl)phosphinothioyl]-N-methylmethanamine
PubChem CID13426246
Molecular FormulaC4H12NOPS
Molecular Weight153.19 g/mol
Exact Mass153.04
IUPAC NameN-[methoxy(methyl)phosphinothioyl]-N-methylmethanamine
SMILESCOP(C)(=S)N(C)C
InChIInChI=1S/C4H12NOPS/c1-5(2)7(4,8)6-3/h1-4H3
InChIKeyKRQQGZQHNBUUBZ-UHFFFAOYSA-N
XLogP1.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 51.13
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-methyl-N-[methyl(pentoxy)phosphinothioyl]methanamine
CID 102312725
N-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine
CID 12584056
N-[bis(dimethylamino)phosphinothioyl]-N-methylmethanamine
CID 19510
dimethoxyphosphinothioyl thiohypobromite
CID 12886142
azane;dihydroxy-methoxy-sulfanylidene-λ5-phosphane
CID 174843642
N,N-bis(dihydroxyphosphinothioyl)methanamine
CID 87474756
dimethoxyphosphinothioyloxy-dimethoxy-sulfanylidene-λ5-phosphane
CID 102579137
hydroxy-dimethoxy-sulfanylidene-λ5-phosphane
CID 158776888
azane;hydroxy-dimethoxy-sulfanylidene-lambda5-phosphane
CID 14041230
dimethoxy-sulfanylidene-sulfido-λ5-phosphane;methane
CID 159583722
tris(methylideneamino)-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium
CID 58734225
disodium;methoxy-oxido-sulfanylidene-sulfido-λ5-phosphane
CID 172832566

Frequently Asked Questions

What is the IUPAC name of N-[methoxy(methyl)phosphinothioyl]-N-methylmethanamine?
The IUPAC name of N-[methoxy(methyl)phosphinothioyl]-N-methylmethanamine (CID 13426246) is N-[methoxy(methyl)phosphinothioyl]-N-methylmethanamine.
What is the SMILES notation for N-[methoxy(methyl)phosphinothioyl]-N-methylmethanamine?
The canonical SMILES for N-[methoxy(methyl)phosphinothioyl]-N-methylmethanamine is COP(C)(=S)N(C)C.
What is the InChIKey of N-[methoxy(methyl)phosphinothioyl]-N-methylmethanamine?
The InChIKey is KRQQGZQHNBUUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NOPS/c1-5(2)7(4,8)6-3/h1-4H3.
What are the key properties of N-[methoxy(methyl)phosphinothioyl]-N-methylmethanamine?
N-[methoxy(methyl)phosphinothioyl]-N-methylmethanamine has a molecular weight of 153.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methoxy(methyl)phosphinothioyl]-N-methylmethanamine is sourced from PubChem (CID 13426246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).