2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine

C8H20NO3PS — CID 134217980

IUPAC2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine
SMILESCOP(=O)(OC(C)C)SCCN(C)C
InChIInChI=1S/C8H20NO3PS/c1-8(2)12-13(10,11-5)14-7-6-9(3)4/h8H,6-7H2,1-5H3
InChIKeyNYWFGFQVAZUBOC-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.46
Rot. Bonds7

About 2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine

2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine (PubChem CID 134217980) has the molecular formula C8H20NO3PS and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine
PubChem CID134217980
Molecular FormulaC8H20NO3PS
Molecular Weight241.29 g/mol
Exact Mass241.09
IUPAC Name2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine
SMILESCOP(=O)(OC(C)C)SCCN(C)C
InChIInChI=1S/C8H20NO3PS/c1-8(2)12-13(10,11-5)14-7-6-9(3)4/h8H,6-7H2,1-5H3
InChIKeyNYWFGFQVAZUBOC-UHFFFAOYSA-N
XLogP2.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy-pentan-2-yloxyphosphoryl]sulfanylethanamine
CID 130474468
1-di(propan-2-yloxy)phosphorylsulfanylpropan-2-ol
CID 134469659
N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-1-amine
CID 170850992
2-[ethoxy(ethyl)phosphoryl]sulfanyl-N,N-dimethylethanamine
CID 523210
2-[2-(dimethylamino)ethylsulfanyl-methylphosphinothioyl]sulfanyl-N,N-dimethylethanamine
CID 546924
N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-2-amine
CID 58400114
methane;methyl dipropan-2-yl phosphate
CID 158565801
2-[deuteriomethylsulfanyl(propan-2-yloxy)phosphoryl]oxypropane
CID 71508140
2-[3-methylbutan-2-yloxy(propan-2-yloxy)phosphoryl]sulfanylethyl 2-amino-2-methylpropanoate
CID 134232882
2-chloro-1-dimethoxyphosphorylsulfanyl-2-methylpropane
CID 134933836
N,N-dimethyl-propan-2-yloxyphosphonamidic acid
CID 14117490
methyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate
CID 101152507

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine (CID 134217980) is 2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine is COP(=O)(OC(C)C)SCCN(C)C.
What is the InChIKey of 2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine?
The InChIKey is NYWFGFQVAZUBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO3PS/c1-8(2)12-13(10,11-5)14-7-6-9(3)4/h8H,6-7H2,1-5H3.
What are the key properties of 2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine?
2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine has a molecular weight of 241.29 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 134217980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).