1-(2-methylsulfanylethyl)-1,3-diazinan-2-one

C7H14N2OS — CID 115371185

IUPAC1-(2-methylsulfanylethyl)-1,3-diazinan-2-one
SMILESCSCCN1CCCNC1=O
InChIInChI=1S/C7H14N2OS/c1-11-6-5-9-4-2-3-8-7(9)10/h2-6H2,1H3,(H,8,10)
InChIKeyBBJMMZDNQVXTRQ-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.76
Rot. Bonds3

About 1-(2-methylsulfanylethyl)-1,3-diazinan-2-one

1-(2-methylsulfanylethyl)-1,3-diazinan-2-one (PubChem CID 115371185) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 1-(2-methylsulfanylethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(2-methylsulfanylethyl)-1,3-diazinan-2-one
PubChem CID115371185
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name1-(2-methylsulfanylethyl)-1,3-diazinan-2-one
SMILESCSCCN1CCCNC1=O
InChIInChI=1S/C7H14N2OS/c1-11-6-5-9-4-2-3-8-7(9)10/h2-6H2,1H3,(H,8,10)
InChIKeyBBJMMZDNQVXTRQ-UHFFFAOYSA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylethyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(2-methylsulfanylethyl)-1,3-diazinan-2-one (CID 115371185) is 1-(2-methylsulfanylethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(2-methylsulfanylethyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(2-methylsulfanylethyl)-1,3-diazinan-2-one is CSCCN1CCCNC1=O.
What is the InChIKey of 1-(2-methylsulfanylethyl)-1,3-diazinan-2-one?
The InChIKey is BBJMMZDNQVXTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-11-6-5-9-4-2-3-8-7(9)10/h2-6H2,1H3,(H,8,10).
What are the key properties of 1-(2-methylsulfanylethyl)-1,3-diazinan-2-one?
1-(2-methylsulfanylethyl)-1,3-diazinan-2-one has a molecular weight of 174.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 115371185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).