N-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine;hydrochloride

C6H17ClN2O2S2 — CID 54612230

IUPACN-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine;hydrochloride
SMILESCNCCSS(=O)(=O)CCNC.Cl
InChIInChI=1S/C6H16N2O2S2.ClH/c1-7-3-5-11-12(9,10)6-4-8-2;/h7-8H,3-6H2,1-2H3;1H
InChIKeyQKDJGSQCJDOEAJ-UHFFFAOYSA-N
MW248.80 g/mol
LogP-0.09
Rot. Bonds7

About N-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine;hydrochloride

N-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine;hydrochloride (PubChem CID 54612230) has the molecular formula C6H17ClN2O2S2 and a molecular weight of 248.80 g/mol. Its IUPAC name is N-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine;hydrochloride
PubChem CID54612230
Molecular FormulaC6H17ClN2O2S2
Molecular Weight248.80 g/mol
Exact Mass248.04
IUPAC NameN-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine;hydrochloride
SMILESCNCCSS(=O)(=O)CCNC.Cl
InChIInChI=1S/C6H16N2O2S2.ClH/c1-7-3-5-11-12(9,10)6-4-8-2;/h7-8H,3-6H2,1-2H3;1H
InChIKeyQKDJGSQCJDOEAJ-UHFFFAOYSA-N
XLogP-0.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine;hydrochloride?
The IUPAC name of N-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine;hydrochloride (CID 54612230) is N-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine;hydrochloride is CNCCSS(=O)(=O)CCNC.Cl.
What is the InChIKey of N-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine;hydrochloride?
The InChIKey is QKDJGSQCJDOEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S2.ClH/c1-7-3-5-11-12(9,10)6-4-8-2;/h7-8H,3-6H2,1-2H3;1H.
What are the key properties of N-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine;hydrochloride?
N-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of -0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(methylamino)ethylsulfonylsulfanyl]ethanamine;hydrochloride is sourced from PubChem (CID 54612230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).