4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one

C12H21NO2S — CID 62612553

IUPAC4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CCS(=O)CC2)C1
InChIInChI=1S/C12H21NO2S/c1-10-2-3-12(14)11(8-10)9-13-4-6-16(15)7-5-13/h10-11H,2-9H2,1H3
InChIKeyKJXAVKSXBBILER-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.06
Rot. Bonds2

About 4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one

4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one (PubChem CID 62612553) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one
PubChem CID62612553
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CCS(=O)CC2)C1
InChIInChI=1S/C12H21NO2S/c1-10-2-3-12(14)11(8-10)9-13-4-6-16(15)7-5-13/h10-11H,2-9H2,1H3
InChIKeyKJXAVKSXBBILER-UHFFFAOYSA-N
XLogP1.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one?
The IUPAC name of 4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one (CID 62612553) is 4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one is CC1CCC(=O)C(CN2CCS(=O)CC2)C1.
What is the InChIKey of 4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one?
The InChIKey is KJXAVKSXBBILER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-10-2-3-12(14)11(8-10)9-13-4-6-16(15)7-5-13/h10-11H,2-9H2,1H3.
What are the key properties of 4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one?
4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one has a molecular weight of 243.37 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 62612553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).