1-methylsulfanyl-N-(1-methylsulfanylethyl)ethanamine

C6H15NS2 — CID 173255510

IUPAC1-methylsulfanyl-N-(1-methylsulfanylethyl)ethanamine
SMILESCSC(C)NC(C)SC
InChIInChI=1S/C6H15NS2/c1-5(8-3)7-6(2)9-4/h5-7H,1-4H3
InChIKeyBNCYLITZXVLYTA-UHFFFAOYSA-N
MW165.33 g/mol
LogP1.99
Rot. Bonds4

About 1-methylsulfanyl-N-(1-methylsulfanylethyl)ethanamine

1-methylsulfanyl-N-(1-methylsulfanylethyl)ethanamine (PubChem CID 173255510) has the molecular formula C6H15NS2 and a molecular weight of 165.33 g/mol. Its IUPAC name is 1-methylsulfanyl-N-(1-methylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name1-methylsulfanyl-N-(1-methylsulfanylethyl)ethanamine
PubChem CID173255510
Molecular FormulaC6H15NS2
Molecular Weight165.33 g/mol
Exact Mass165.06
IUPAC Name1-methylsulfanyl-N-(1-methylsulfanylethyl)ethanamine
SMILESCSC(C)NC(C)SC
InChIInChI=1S/C6H15NS2/c1-5(8-3)7-6(2)9-4/h5-7H,1-4H3
InChIKeyBNCYLITZXVLYTA-UHFFFAOYSA-N
XLogP1.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methylthiazolidine
CID 32196
2,4,6-Trimethyldihydro-1,3,5-dithiazine
CID 12518
Thialdine
CID 13072565
N-Methyl-2-(methylthio)ethanamine
CID 18670831
Methyl[2-(methylsulfanyl)ethyl]amine hydrochloride
CID 18670830
Dihydro-4,6-dimethyl-4H-1,3,5-dithiazine
CID 85824626
CID 6999028
CID 6999028
N-ethyl(ethylsulfanyl)carbothioamide
CID 11171068
3,9-Dithia-6-azaundecane
CID 11830297
Bis(2-((2-(ethylthio)ethyl)thio)ethyl)amine
CID 11833983
Bis-(2-methylthioethyl)-amine
CID 15410127
(2S)-2-methyl-1,3-thiazolidine
CID 641522

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-N-(1-methylsulfanylethyl)ethanamine?
The IUPAC name of 1-methylsulfanyl-N-(1-methylsulfanylethyl)ethanamine (CID 173255510) is 1-methylsulfanyl-N-(1-methylsulfanylethyl)ethanamine.
What is the SMILES notation for 1-methylsulfanyl-N-(1-methylsulfanylethyl)ethanamine?
The canonical SMILES for 1-methylsulfanyl-N-(1-methylsulfanylethyl)ethanamine is CSC(C)NC(C)SC.
What is the InChIKey of 1-methylsulfanyl-N-(1-methylsulfanylethyl)ethanamine?
The InChIKey is BNCYLITZXVLYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS2/c1-5(8-3)7-6(2)9-4/h5-7H,1-4H3.
What are the key properties of 1-methylsulfanyl-N-(1-methylsulfanylethyl)ethanamine?
1-methylsulfanyl-N-(1-methylsulfanylethyl)ethanamine has a molecular weight of 165.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-N-(1-methylsulfanylethyl)ethanamine is sourced from PubChem (CID 173255510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).