N-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine

C11H24N2OS — CID 112658148

IUPACN-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCSCCN(C)C(CN)C1CCCOC1
InChIInChI=1S/C11H24N2OS/c1-13(5-7-15-2)11(8-12)10-4-3-6-14-9-10/h10-11H,3-9,12H2,1-2H3
InChIKeyUQBNOZYZDGGFPO-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.04
Rot. Bonds6

About N-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine

N-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine (PubChem CID 112658148) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine
PubChem CID112658148
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC NameN-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCSCCN(C)C(CN)C1CCCOC1
InChIInChI=1S/C11H24N2OS/c1-13(5-7-15-2)11(8-12)10-4-3-6-14-9-10/h10-11H,3-9,12H2,1-2H3
InChIKeyUQBNOZYZDGGFPO-UHFFFAOYSA-N
XLogP1.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine 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-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine (CID 112658148) is N-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine is CSCCN(C)C(CN)C1CCCOC1.
What is the InChIKey of N-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine?
The InChIKey is UQBNOZYZDGGFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-13(5-7-15-2)11(8-12)10-4-3-6-14-9-10/h10-11H,3-9,12H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine?
N-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine has a molecular weight of 232.39 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 112658148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).