N'-(2-methylsulfanylethyl)ethane-1,2-diamine

C5H14N2S — CID 11228829

IUPACN'-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCNCCN
InChIInChI=1S/C5H14N2S/c1-8-5-4-7-3-2-6/h7H,2-6H2,1H3
InChIKeyMDAMYAMXCCHARG-UHFFFAOYSA-N
MW134.25 g/mol
LogP-0.10
Rot. Bonds5

About N'-(2-methylsulfanylethyl)ethane-1,2-diamine

N'-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 11228829) has the molecular formula C5H14N2S and a molecular weight of 134.25 g/mol. Its IUPAC name is N'-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID11228829
Molecular FormulaC5H14N2S
Molecular Weight134.25 g/mol
Exact Mass134.09
IUPAC NameN'-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCNCCN
InChIInChI=1S/C5H14N2S/c1-8-5-4-7-3-2-6/h7H,2-6H2,1H3
InChIKeyMDAMYAMXCCHARG-UHFFFAOYSA-N
XLogP-0.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 11228829) is N'-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methylsulfanylethyl)ethane-1,2-diamine is CSCCNCCN.
What is the InChIKey of N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is MDAMYAMXCCHARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2S/c1-8-5-4-7-3-2-6/h7H,2-6H2,1H3.
What are the key properties of N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
N'-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 134.25 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 11228829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).