1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one

C8H15NO2S — CID 774445

IUPAC1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one
SMILESCCCC(=O)N1CCS(=O)CC1
InChIInChI=1S/C8H15NO2S/c1-2-3-8(10)9-4-6-12(11)7-5-9/h2-7H2,1H3
InChIKeyZCIBAAUDSICGKC-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.38
Rot. Bonds2

About 1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one

1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one (PubChem CID 774445) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one.

Molecular Properties

Compound Name1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one
PubChem CID774445
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one
SMILESCCCC(=O)N1CCS(=O)CC1
InChIInChI=1S/C8H15NO2S/c1-2-3-8(10)9-4-6-12(11)7-5-9/h2-7H2,1H3
InChIKeyZCIBAAUDSICGKC-UHFFFAOYSA-N
XLogP0.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one?
The IUPAC name of 1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one (CID 774445) is 1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one.
What is the SMILES notation for 1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one?
The canonical SMILES for 1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one is CCCC(=O)N1CCS(=O)CC1.
What is the InChIKey of 1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one?
The InChIKey is ZCIBAAUDSICGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-2-3-8(10)9-4-6-12(11)7-5-9/h2-7H2,1H3.
What are the key properties of 1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one?
1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one has a molecular weight of 189.28 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one is sourced from PubChem (CID 774445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).