2-[bis(methylsulfanylmethyl)amino]ethanol

C6H15NOS2 — CID 89472258

IUPAC2-[bis(methylsulfanylmethyl)amino]ethanol
SMILESCSCN(CCO)CSC
InChIInChI=1S/C6H15NOS2/c1-9-5-7(3-4-8)6-10-2/h8H,3-6H2,1-2H3
InChIKeyLXASFJDNOJQGFL-UHFFFAOYSA-N
MW181.33 g/mol
LogP0.92
Rot. Bonds6

About 2-[bis(methylsulfanylmethyl)amino]ethanol

2-[bis(methylsulfanylmethyl)amino]ethanol (PubChem CID 89472258) has the molecular formula C6H15NOS2 and a molecular weight of 181.33 g/mol. Its IUPAC name is 2-[bis(methylsulfanylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[bis(methylsulfanylmethyl)amino]ethanol
PubChem CID89472258
Molecular FormulaC6H15NOS2
Molecular Weight181.33 g/mol
Exact Mass181.06
IUPAC Name2-[bis(methylsulfanylmethyl)amino]ethanol
SMILESCSCN(CCO)CSC
InChIInChI=1S/C6H15NOS2/c1-9-5-7(3-4-8)6-10-2/h8H,3-6H2,1-2H3
InChIKeyLXASFJDNOJQGFL-UHFFFAOYSA-N
XLogP0.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride
CID 159922681
2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)
CID 159674696
sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride
CID 23700456
2-[bis(2-hydroxyethyl)amino]ethanol;copper;hydrate
CID 88718210
2-[bis(2-hydroxyethyl)amino]ethanol;ethanamine
CID 160554975
N,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide
CID 61235441

Frequently Asked Questions

What is the IUPAC name of 2-[bis(methylsulfanylmethyl)amino]ethanol?
The IUPAC name of 2-[bis(methylsulfanylmethyl)amino]ethanol (CID 89472258) is 2-[bis(methylsulfanylmethyl)amino]ethanol.
What is the SMILES notation for 2-[bis(methylsulfanylmethyl)amino]ethanol?
The canonical SMILES for 2-[bis(methylsulfanylmethyl)amino]ethanol is CSCN(CCO)CSC.
What is the InChIKey of 2-[bis(methylsulfanylmethyl)amino]ethanol?
The InChIKey is LXASFJDNOJQGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS2/c1-9-5-7(3-4-8)6-10-2/h8H,3-6H2,1-2H3.
What are the key properties of 2-[bis(methylsulfanylmethyl)amino]ethanol?
2-[bis(methylsulfanylmethyl)amino]ethanol has a molecular weight of 181.33 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(methylsulfanylmethyl)amino]ethanol is sourced from PubChem (CID 89472258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).