2-(ethylamino)-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-one

C11H22N2O2S — CID 71154702

IUPAC2-(ethylamino)-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-one
SMILESCCNC(CN1CCS(=O)CC1)C(=O)CC
InChIInChI=1S/C11H22N2O2S/c1-3-11(14)10(12-4-2)9-13-5-7-16(15)8-6-13/h10,12H,3-9H2,1-2H3
InChIKeyVGRZLPFBQKKTRA-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.01
Rot. Bonds6

About 2-(ethylamino)-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-one

2-(ethylamino)-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-one (PubChem CID 71154702) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(ethylamino)-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-one.

Molecular Properties

Compound Name2-(ethylamino)-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-one
PubChem CID71154702
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-(ethylamino)-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-one
SMILESCCNC(CN1CCS(=O)CC1)C(=O)CC
InChIInChI=1S/C11H22N2O2S/c1-3-11(14)10(12-4-2)9-13-5-7-16(15)8-6-13/h10,12H,3-9H2,1-2H3
InChIKeyVGRZLPFBQKKTRA-UHFFFAOYSA-N
XLogP0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-one?
The IUPAC name of 2-(ethylamino)-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-one (CID 71154702) is 2-(ethylamino)-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-one.
What is the SMILES notation for 2-(ethylamino)-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-one?
The canonical SMILES for 2-(ethylamino)-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-one is CCNC(CN1CCS(=O)CC1)C(=O)CC.
What is the InChIKey of 2-(ethylamino)-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-one?
The InChIKey is VGRZLPFBQKKTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-3-11(14)10(12-4-2)9-13-5-7-16(15)8-6-13/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-(ethylamino)-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-one?
2-(ethylamino)-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-one has a molecular weight of 246.38 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-one is sourced from PubChem (CID 71154702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).