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

C14H25NO3S — CID 86779212

IUPAC2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one
SMILESCCC(OC1CCCCC1)C(=O)N1CCS(=O)CC1
InChIInChI=1S/C14H25NO3S/c1-2-13(18-12-6-4-3-5-7-12)14(16)15-8-10-19(17)11-9-15/h12-13H,2-11H2,1H3
InChIKeyFSDBHLOWMUHLCB-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.71
Rot. Bonds4

About 2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one

2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one (PubChem CID 86779212) has the molecular formula C14H25NO3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one.

Molecular Properties

Compound Name2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one
PubChem CID86779212
Molecular FormulaC14H25NO3S
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one
SMILESCCC(OC1CCCCC1)C(=O)N1CCS(=O)CC1
InChIInChI=1S/C14H25NO3S/c1-2-13(18-12-6-4-3-5-7-12)14(16)15-8-10-19(17)11-9-15/h12-13H,2-11H2,1H3
InChIKeyFSDBHLOWMUHLCB-UHFFFAOYSA-N
XLogP1.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119375428
1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one
CID 119410162
(2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one
CID 97213320
(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
CID 99623318
2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one
CID 120997669
(2S)-2-cyclohexyloxy-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 97226355
4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid
CID 119239391
(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid
CID 125118721
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119595319
2-cyclopentyloxy-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 56789506
3-[(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidin-3-yl]propanoic acid
CID 124684075
2-cyclohexyloxy-N-piperidin-1-ylbutanamide
CID 102560917

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one?
The IUPAC name of 2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one (CID 86779212) is 2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one.
What is the SMILES notation for 2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one?
The canonical SMILES for 2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one is CCC(OC1CCCCC1)C(=O)N1CCS(=O)CC1.
What is the InChIKey of 2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one?
The InChIKey is FSDBHLOWMUHLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-2-13(18-12-6-4-3-5-7-12)14(16)15-8-10-19(17)11-9-15/h12-13H,2-11H2,1H3.
What are the key properties of 2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one?
2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one has a molecular weight of 287.43 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one is sourced from PubChem (CID 86779212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).