2-ethylsulfanyl-1,3-diazinan-4-one

C6H12N2OS — CID 76845196

IUPAC2-ethylsulfanyl-1,3-diazinan-4-one
SMILESCCSC1NCCC(=O)N1
InChIInChI=1S/C6H12N2OS/c1-2-10-6-7-4-3-5(9)8-6/h6-7H,2-4H2,1H3,(H,8,9)
InChIKeyCKRMZEMQECYYCP-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.13
Rot. Bonds2

About 2-ethylsulfanyl-1,3-diazinan-4-one

2-ethylsulfanyl-1,3-diazinan-4-one (PubChem CID 76845196) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-ethylsulfanyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-ethylsulfanyl-1,3-diazinan-4-one
PubChem CID76845196
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name2-ethylsulfanyl-1,3-diazinan-4-one
SMILESCCSC1NCCC(=O)N1
InChIInChI=1S/C6H12N2OS/c1-2-10-6-7-4-3-5(9)8-6/h6-7H,2-4H2,1H3,(H,8,9)
InChIKeyCKRMZEMQECYYCP-UHFFFAOYSA-N
XLogP0.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1,3-diazinan-4-one?
The IUPAC name of 2-ethylsulfanyl-1,3-diazinan-4-one (CID 76845196) is 2-ethylsulfanyl-1,3-diazinan-4-one.
What is the SMILES notation for 2-ethylsulfanyl-1,3-diazinan-4-one?
The canonical SMILES for 2-ethylsulfanyl-1,3-diazinan-4-one is CCSC1NCCC(=O)N1.
What is the InChIKey of 2-ethylsulfanyl-1,3-diazinan-4-one?
The InChIKey is CKRMZEMQECYYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-2-10-6-7-4-3-5(9)8-6/h6-7H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-ethylsulfanyl-1,3-diazinan-4-one?
2-ethylsulfanyl-1,3-diazinan-4-one has a molecular weight of 160.24 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1,3-diazinan-4-one is sourced from PubChem (CID 76845196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).