2-N-(2-methoxyethyl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine

C9H22N2OS — CID 61427515

IUPAC2-N-(2-methoxyethyl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
SMILESCOCCN(C)C(CN)CCSC
InChIInChI=1S/C9H22N2OS/c1-11(5-6-12-2)9(8-10)4-7-13-3/h9H,4-8,10H2,1-3H3
InChIKeyPZNOIFMHQFJFHO-UHFFFAOYSA-N
MW206.35 g/mol
LogP0.64
Rot. Bonds8

About 2-N-(2-methoxyethyl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine

2-N-(2-methoxyethyl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine (PubChem CID 61427515) has the molecular formula C9H22N2OS and a molecular weight of 206.35 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
PubChem CID61427515
Molecular FormulaC9H22N2OS
Molecular Weight206.35 g/mol
Exact Mass206.15
IUPAC Name2-N-(2-methoxyethyl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
SMILESCOCCN(C)C(CN)CCSC
InChIInChI=1S/C9H22N2OS/c1-11(5-6-12-2)9(8-10)4-7-13-3/h9H,4-8,10H2,1-3H3
InChIKeyPZNOIFMHQFJFHO-UHFFFAOYSA-N
XLogP0.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-(2-methoxyethyl)-2-N-methyl-4-methylsulfanylbutane-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 2-N-(2-methoxyethyl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine (CID 61427515) is 2-N-(2-methoxyethyl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine is COCCN(C)C(CN)CCSC.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine?
The InChIKey is PZNOIFMHQFJFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2OS/c1-11(5-6-12-2)9(8-10)4-7-13-3/h9H,4-8,10H2,1-3H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine?
2-N-(2-methoxyethyl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine has a molecular weight of 206.35 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine is sourced from PubChem (CID 61427515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).