2-(2-methylsulfanyl-1,3-diazinan-1-yl)ethanol

C7H16N2OS — CID 19785384

IUPAC2-(2-methylsulfanyl-1,3-diazinan-1-yl)ethanol
SMILESCSC1NCCCN1CCO
InChIInChI=1S/C7H16N2OS/c1-11-7-8-3-2-4-9(7)5-6-10/h7-8,10H,2-6H2,1H3
InChIKeyIRLAKEOEQBPXTD-UHFFFAOYSA-N
MW176.28 g/mol
LogP-0.08
Rot. Bonds3

About 2-(2-methylsulfanyl-1,3-diazinan-1-yl)ethanol

2-(2-methylsulfanyl-1,3-diazinan-1-yl)ethanol (PubChem CID 19785384) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 2-(2-methylsulfanyl-1,3-diazinan-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylsulfanyl-1,3-diazinan-1-yl)ethanol
PubChem CID19785384
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name2-(2-methylsulfanyl-1,3-diazinan-1-yl)ethanol
SMILESCSC1NCCCN1CCO
InChIInChI=1S/C7H16N2OS/c1-11-7-8-3-2-4-9(7)5-6-10/h7-8,10H,2-6H2,1H3
InChIKeyIRLAKEOEQBPXTD-UHFFFAOYSA-N
XLogP-0.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanyl-1,3-diazinan-1-yl)ethanol?
The IUPAC name of 2-(2-methylsulfanyl-1,3-diazinan-1-yl)ethanol (CID 19785384) is 2-(2-methylsulfanyl-1,3-diazinan-1-yl)ethanol.
What is the SMILES notation for 2-(2-methylsulfanyl-1,3-diazinan-1-yl)ethanol?
The canonical SMILES for 2-(2-methylsulfanyl-1,3-diazinan-1-yl)ethanol is CSC1NCCCN1CCO.
What is the InChIKey of 2-(2-methylsulfanyl-1,3-diazinan-1-yl)ethanol?
The InChIKey is IRLAKEOEQBPXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-11-7-8-3-2-4-9(7)5-6-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-(2-methylsulfanyl-1,3-diazinan-1-yl)ethanol?
2-(2-methylsulfanyl-1,3-diazinan-1-yl)ethanol has a molecular weight of 176.28 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanyl-1,3-diazinan-1-yl)ethanol is sourced from PubChem (CID 19785384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).