6-hydroxy-2-propylsulfanyl-1,3-diazinan-4-one

C7H14N2O2S — CID 45074621

IUPAC6-hydroxy-2-propylsulfanyl-1,3-diazinan-4-one
SMILESCCCSC1NC(=O)CC(O)N1
InChIInChI=1S/C7H14N2O2S/c1-2-3-12-7-8-5(10)4-6(11)9-7/h5,7-8,10H,2-4H2,1H3,(H,9,11)
InChIKeyBUKRYBGCOWOKLO-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.16
Rot. Bonds3

About 6-hydroxy-2-propylsulfanyl-1,3-diazinan-4-one

6-hydroxy-2-propylsulfanyl-1,3-diazinan-4-one (PubChem CID 45074621) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 6-hydroxy-2-propylsulfanyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-hydroxy-2-propylsulfanyl-1,3-diazinan-4-one
PubChem CID45074621
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name6-hydroxy-2-propylsulfanyl-1,3-diazinan-4-one
SMILESCCCSC1NC(=O)CC(O)N1
InChIInChI=1S/C7H14N2O2S/c1-2-3-12-7-8-5(10)4-6(11)9-7/h5,7-8,10H,2-4H2,1H3,(H,9,11)
InChIKeyBUKRYBGCOWOKLO-UHFFFAOYSA-N
XLogP-0.16
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-propylsulfanyl-1,3-diazinan-4-one?
The IUPAC name of 6-hydroxy-2-propylsulfanyl-1,3-diazinan-4-one (CID 45074621) is 6-hydroxy-2-propylsulfanyl-1,3-diazinan-4-one.
What is the SMILES notation for 6-hydroxy-2-propylsulfanyl-1,3-diazinan-4-one?
The canonical SMILES for 6-hydroxy-2-propylsulfanyl-1,3-diazinan-4-one is CCCSC1NC(=O)CC(O)N1.
What is the InChIKey of 6-hydroxy-2-propylsulfanyl-1,3-diazinan-4-one?
The InChIKey is BUKRYBGCOWOKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-2-3-12-7-8-5(10)4-6(11)9-7/h5,7-8,10H,2-4H2,1H3,(H,9,11).
What are the key properties of 6-hydroxy-2-propylsulfanyl-1,3-diazinan-4-one?
6-hydroxy-2-propylsulfanyl-1,3-diazinan-4-one has a molecular weight of 190.27 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-propylsulfanyl-1,3-diazinan-4-one is sourced from PubChem (CID 45074621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).