N-(disulfanyl)-N',N'-diethylethane-1,2-diamine

C6H16N2S2 — CID 138604629

IUPACN-(disulfanyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNSS
InChIInChI=1S/C6H16N2S2/c1-3-8(4-2)6-5-7-10-9/h7,9H,3-6H2,1-2H3
InChIKeySWSZYGQDZXYQPB-UHFFFAOYSA-N
MW180.34 g/mol
LogP1.41
Rot. Bonds6

About N-(disulfanyl)-N',N'-diethylethane-1,2-diamine

N-(disulfanyl)-N',N'-diethylethane-1,2-diamine (PubChem CID 138604629) has the molecular formula C6H16N2S2 and a molecular weight of 180.34 g/mol. Its IUPAC name is N-(disulfanyl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(disulfanyl)-N',N'-diethylethane-1,2-diamine
PubChem CID138604629
Molecular FormulaC6H16N2S2
Molecular Weight180.34 g/mol
Exact Mass180.08
IUPAC NameN-(disulfanyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNSS
InChIInChI=1S/C6H16N2S2/c1-3-8(4-2)6-5-7-10-9/h7,9H,3-6H2,1-2H3
InChIKeySWSZYGQDZXYQPB-UHFFFAOYSA-N
XLogP1.41
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N-Diethylethylenediamine
CID 60993
1,2-Ethanediamine, N1,N1-diethyl-N2-methyl-
CID 66034
1,4,7-Trimethyldiethylenetriamine
CID 66930
2-Ethylaminoethyldimethylamine
CID 67162
1,2-Ethanediamine, N2-(2-aminoethyl)-N1,N1-dimethyl-
CID 90424
N-Methyl-2,2'-diaminodiethylamine
CID 430288
1,2-Ethanediamine, N1-(2-aminoethyl)-N1,N2-dimethyl-
CID 118594
1,1,4-Trimethyldiethylenetrimine
CID 193156
(2-Aminoethyl)(ethyl)methylamine
CID 14598030
(2-Aminoethyl)[2-(dimethylamino)ethyl]ethylamine
CID 54296910
Tris(2-aminoethyl)-methylazanium
CID 11446917
N~1~-(2-Aminoethyl)-N~1~-ethylethane-1,2-diamine
CID 14122861

Frequently Asked Questions

What is the IUPAC name of N-(disulfanyl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(disulfanyl)-N',N'-diethylethane-1,2-diamine (CID 138604629) is N-(disulfanyl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(disulfanyl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(disulfanyl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNSS.
What is the InChIKey of N-(disulfanyl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is SWSZYGQDZXYQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S2/c1-3-8(4-2)6-5-7-10-9/h7,9H,3-6H2,1-2H3.
What are the key properties of N-(disulfanyl)-N',N'-diethylethane-1,2-diamine?
N-(disulfanyl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 180.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(disulfanyl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 138604629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).