N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine

C12H32N4S6 — CID 91538580

IUPACN'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine
SMILESCCSNCCNCSSC.CCSNCCNCSSC
InChIInChI=1S/2C6H16N2S3/c2*1-3-10-8-5-4-7-6-11-9-2/h2*7-8H,3-6H2,1-2H3
InChIKeyNYNNXEYWAAUMOS-UHFFFAOYSA-N
MW424.82 g/mol
LogP3.60
Rot. Bonds16

About N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine

N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine (PubChem CID 91538580) has the molecular formula C12H32N4S6 and a molecular weight of 424.82 g/mol. Its IUPAC name is N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine
PubChem CID91538580
Molecular FormulaC12H32N4S6
Molecular Weight424.82 g/mol
Exact Mass424.10
IUPAC NameN'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine
SMILESCCSNCCNCSSC.CCSNCCNCSSC
InChIInChI=1S/2C6H16N2S3/c2*1-3-10-8-5-4-7-6-11-9-2/h2*7-8H,3-6H2,1-2H3
InChIKeyNYNNXEYWAAUMOS-UHFFFAOYSA-N
XLogP3.60
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.82
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]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

Related Compounds

N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine
CID 22961184
N'-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-N,N-dimethyl-N'-[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine
CID 89213549
N'-[(methyldisulfanyl)methyl]-N-(methylsulfanylmethyl)ethane-1,2-diamine;N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine
CID 90969170
N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine;N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine
CID 91344503
N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]methanediamine;N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine
CID 91604479
N,N-dimethyl-N',N'-bis[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine;ethane
CID 143744841
1-Ethylsulfanyl-1,4,7,10-tetrazacyclododecane
CID 155077598
methane;N'-[(methyldisulfanyl)methyl]-N-(methylsulfanylmethyl)ethane-1,2-diamine;N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine
CID 157609788
2-(2-aminoethyldisulfanyl)ethanamine;2-(methylamino)ethanethiol;N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine
CID 160147886
N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine;methane;N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine
CID 160188789
N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine;methane;N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine
CID 160920834
2-(2-aminoethyldisulfanyl)ethanamine;2-(butyldisulfanyl)-N-methylethanamine;2-(methylamino)ethanethiol
CID 161037672

Frequently Asked Questions

What is the IUPAC name of N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine (CID 91538580) is N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine is CCSNCCNCSSC.CCSNCCNCSSC.
What is the InChIKey of N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine?
The InChIKey is NYNNXEYWAAUMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H16N2S3/c2*1-3-10-8-5-4-7-6-11-9-2/h2*7-8H,3-6H2,1-2H3.
What are the key properties of N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine?
N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine has a molecular weight of 424.82 g/mol, XLogP of 3.60, 16 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 91538580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).