N',N'-dimethyl-N-(methylsulfinothioylmethyl)ethane-1,2-diamine

C6H16N2S2 — CID 166978104

IUPACN',N'-dimethyl-N-(methylsulfinothioylmethyl)ethane-1,2-diamine
SMILESCN(C)CCNCS(C)=S
InChIInChI=1S/C6H16N2S2/c1-8(2)5-4-7-6-10(3)9/h7H,4-6H2,1-3H3
InChIKeyANMQLWIXZCBQFK-UHFFFAOYSA-N
MW180.34 g/mol
LogP-0.19
Rot. Bonds5

About N',N'-dimethyl-N-(methylsulfinothioylmethyl)ethane-1,2-diamine

N',N'-dimethyl-N-(methylsulfinothioylmethyl)ethane-1,2-diamine (PubChem CID 166978104) has the molecular formula C6H16N2S2 and a molecular weight of 180.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-(methylsulfinothioylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(methylsulfinothioylmethyl)ethane-1,2-diamine
PubChem CID166978104
Molecular FormulaC6H16N2S2
Molecular Weight180.34 g/mol
Exact Mass180.08
IUPAC NameN',N'-dimethyl-N-(methylsulfinothioylmethyl)ethane-1,2-diamine
SMILESCN(C)CCNCS(C)=S
InChIInChI=1S/C6H16N2S2/c1-8(2)5-4-7-6-10(3)9/h7H,4-6H2,1-3H3
InChIKeyANMQLWIXZCBQFK-UHFFFAOYSA-N
XLogP-0.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-(methylsulfinothioylmethyl)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',N'-dimethyl-N-(methylsulfinothioylmethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(methylsulfinothioylmethyl)ethane-1,2-diamine (CID 166978104) is N',N'-dimethyl-N-(methylsulfinothioylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(methylsulfinothioylmethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(methylsulfinothioylmethyl)ethane-1,2-diamine is CN(C)CCNCS(C)=S.
What is the InChIKey of N',N'-dimethyl-N-(methylsulfinothioylmethyl)ethane-1,2-diamine?
The InChIKey is ANMQLWIXZCBQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S2/c1-8(2)5-4-7-6-10(3)9/h7H,4-6H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(methylsulfinothioylmethyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(methylsulfinothioylmethyl)ethane-1,2-diamine has a molecular weight of 180.34 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(methylsulfinothioylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 166978104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).