N,N-diethyl-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine

C8H18NO2PS — CID 23418694

IUPACN,N-diethyl-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine
SMILESCCN(CC)P1(=S)OCCC(C)O1
InChIInChI=1S/C8H18NO2PS/c1-4-9(5-2)12(13)10-7-6-8(3)11-12/h8H,4-7H2,1-3H3
InChIKeyZWEOCHWRDBARJM-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.38
Rot. Bonds3

About N,N-diethyl-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine

N,N-diethyl-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine (PubChem CID 23418694) has the molecular formula C8H18NO2PS and a molecular weight of 223.28 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine
PubChem CID23418694
Molecular FormulaC8H18NO2PS
Molecular Weight223.28 g/mol
Exact Mass223.08
IUPAC NameN,N-diethyl-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine
SMILESCCN(CC)P1(=S)OCCC(C)O1
InChIInChI=1S/C8H18NO2PS/c1-4-9(5-2)12(13)10-7-6-8(3)11-12/h8H,4-7H2,1-3H3
InChIKeyZWEOCHWRDBARJM-UHFFFAOYSA-N
XLogP2.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-diethyl-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine?
The IUPAC name of N,N-diethyl-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine (CID 23418694) is N,N-diethyl-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine.
What is the SMILES notation for N,N-diethyl-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine?
The canonical SMILES for N,N-diethyl-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine is CCN(CC)P1(=S)OCCC(C)O1.
What is the InChIKey of N,N-diethyl-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine?
The InChIKey is ZWEOCHWRDBARJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO2PS/c1-4-9(5-2)12(13)10-7-6-8(3)11-12/h8H,4-7H2,1-3H3.
What are the key properties of N,N-diethyl-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine?
N,N-diethyl-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine has a molecular weight of 223.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine is sourced from PubChem (CID 23418694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).