N,N-diethylethanamine;methylsulfinylmethane

C8H21NOS — CID 86583882

IUPACN,N-diethylethanamine;methylsulfinylmethane
SMILESCCN(CC)CC.CS(C)=O
InChIInChI=1S/C6H15N.C2H6OS/c1-4-7(5-2)6-3;1-4(2)3/h4-6H2,1-3H3;1-2H3
InChIKeyITFZASUFZUCDSU-UHFFFAOYSA-N
MW179.33 g/mol
LogP1.34
Rot. Bonds3

About N,N-diethylethanamine;methylsulfinylmethane

N,N-diethylethanamine;methylsulfinylmethane (PubChem CID 86583882) has the molecular formula C8H21NOS and a molecular weight of 179.33 g/mol. Its IUPAC name is N,N-diethylethanamine;methylsulfinylmethane.

Molecular Properties

Compound NameN,N-diethylethanamine;methylsulfinylmethane
PubChem CID86583882
Molecular FormulaC8H21NOS
Molecular Weight179.33 g/mol
Exact Mass179.13
IUPAC NameN,N-diethylethanamine;methylsulfinylmethane
SMILESCCN(CC)CC.CS(C)=O
InChIInChI=1S/C6H15N.C2H6OS/c1-4-7(5-2)6-3;1-4(2)3/h4-6H2,1-3H3;1-2H3
InChIKeyITFZASUFZUCDSU-UHFFFAOYSA-N
XLogP1.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.33
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diethylethanamine;methylsulfinylmethane 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-diethylethanamine;methylsulfinylmethane?
The IUPAC name of N,N-diethylethanamine;methylsulfinylmethane (CID 86583882) is N,N-diethylethanamine;methylsulfinylmethane.
What is the SMILES notation for N,N-diethylethanamine;methylsulfinylmethane?
The canonical SMILES for N,N-diethylethanamine;methylsulfinylmethane is CCN(CC)CC.CS(C)=O.
What is the InChIKey of N,N-diethylethanamine;methylsulfinylmethane?
The InChIKey is ITFZASUFZUCDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H6OS/c1-4-7(5-2)6-3;1-4(2)3/h4-6H2,1-3H3;1-2H3.
What are the key properties of N,N-diethylethanamine;methylsulfinylmethane?
N,N-diethylethanamine;methylsulfinylmethane has a molecular weight of 179.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;methylsulfinylmethane is sourced from PubChem (CID 86583882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).