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

C6H16N2S — CID 11298051

IUPACN'-(2-ethylsulfanylethyl)ethane-1,2-diamine
SMILESCCSCCNCCN
InChIInChI=1S/C6H16N2S/c1-2-9-6-5-8-4-3-7/h8H,2-7H2,1H3
InChIKeyXMPOWGPGAOIRGB-UHFFFAOYSA-N
MW148.28 g/mol
LogP0.29
Rot. Bonds6

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

N'-(2-ethylsulfanylethyl)ethane-1,2-diamine (PubChem CID 11298051) has the molecular formula C6H16N2S and a molecular weight of 148.28 g/mol. Its IUPAC name is N'-(2-ethylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethylsulfanylethyl)ethane-1,2-diamine
PubChem CID11298051
Molecular FormulaC6H16N2S
Molecular Weight148.28 g/mol
Exact Mass148.10
IUPAC NameN'-(2-ethylsulfanylethyl)ethane-1,2-diamine
SMILESCCSCCNCCN
InChIInChI=1S/C6H16N2S/c1-2-9-6-5-8-4-3-7/h8H,2-7H2,1H3
InChIKeyXMPOWGPGAOIRGB-UHFFFAOYSA-N
XLogP0.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.28
LogP ≤ 50.29
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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Related Compounds

N'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261792
N'-(2-propan-2-ylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261807
N'-(2-methylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261818
N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261849
N'-(2-butylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261859
1-Thia-4,7,10,13-tetraazacyclopentadecane
CID 12342767
1,2-Ethanediamine, N-[2-(methylthio)ethyl]-
CID 11228829
3,9-Dithia-6-azaundecane
CID 11830297
1,7-Dithia-4,10-diazacyclododecane
CID 13157833
1,4,7-Thiadiazonane
CID 15302553
1-Thia-4,7,10-triazacyclododecane
CID 15426811
2-[2-(Ethylamino)ethylamino]ethanethiol
CID 211753

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-ethylsulfanylethyl)ethane-1,2-diamine (CID 11298051) is N'-(2-ethylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-ethylsulfanylethyl)ethane-1,2-diamine is CCSCCNCCN.
What is the InChIKey of N'-(2-ethylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is XMPOWGPGAOIRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S/c1-2-9-6-5-8-4-3-7/h8H,2-7H2,1H3.
What are the key properties of N'-(2-ethylsulfanylethyl)ethane-1,2-diamine?
N'-(2-ethylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 148.28 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 11298051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).