4-[(1-hydroxycyclohexyl)methyl]thiomorpholine-3,5-dione

C11H17NO3S — CID 104570923

IUPAC4-[(1-hydroxycyclohexyl)methyl]thiomorpholine-3,5-dione
SMILESO=C1CSCC(=O)N1CC1(O)CCCCC1
InChIInChI=1S/C11H17NO3S/c13-9-6-16-7-10(14)12(9)8-11(15)4-2-1-3-5-11/h15H,1-8H2
InChIKeyKDFIYMVOECPEDX-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.78
Rot. Bonds2

About 4-[(1-hydroxycyclohexyl)methyl]thiomorpholine-3,5-dione

4-[(1-hydroxycyclohexyl)methyl]thiomorpholine-3,5-dione (PubChem CID 104570923) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-[(1-hydroxycyclohexyl)methyl]thiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-[(1-hydroxycyclohexyl)methyl]thiomorpholine-3,5-dione
PubChem CID104570923
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name4-[(1-hydroxycyclohexyl)methyl]thiomorpholine-3,5-dione
SMILESO=C1CSCC(=O)N1CC1(O)CCCCC1
InChIInChI=1S/C11H17NO3S/c13-9-6-16-7-10(14)12(9)8-11(15)4-2-1-3-5-11/h15H,1-8H2
InChIKeyKDFIYMVOECPEDX-UHFFFAOYSA-N
XLogP0.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(3,5-dioxothiomorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 104570524
7-[(1-hydroxycyclohexyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 110921685
1-[(1-hydroxycycloheptyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 65122171
4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiomorpholine-3,5-dione
CID 106103089
1-[(3,5-dioxothiomorpholin-4-yl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 113427880
1-(azetidin-1-ylmethyl)cyclohexan-1-ol
CID 84731810
4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 168685188
4-(2-aminoethyl)thiomorpholine-3,5-dione
CID 104570964
1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 65121939
1-[(4-hydroxyoxan-4-yl)methyl]-4-methylpiperidine-2,6-dione
CID 81131359
1-[(1-hydroxycyclopentyl)methyl]-1,3-diazinan-2-one
CID 115371225
2-(4,5-dimethylfuran-2-yl)-3-[(1-hydroxycyclohexyl)methyl]-1,3-thiazolidin-4-one
CID 3860679

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclohexyl)methyl]thiomorpholine-3,5-dione?
The IUPAC name of 4-[(1-hydroxycyclohexyl)methyl]thiomorpholine-3,5-dione (CID 104570923) is 4-[(1-hydroxycyclohexyl)methyl]thiomorpholine-3,5-dione.
What is the SMILES notation for 4-[(1-hydroxycyclohexyl)methyl]thiomorpholine-3,5-dione?
The canonical SMILES for 4-[(1-hydroxycyclohexyl)methyl]thiomorpholine-3,5-dione is O=C1CSCC(=O)N1CC1(O)CCCCC1.
What is the InChIKey of 4-[(1-hydroxycyclohexyl)methyl]thiomorpholine-3,5-dione?
The InChIKey is KDFIYMVOECPEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c13-9-6-16-7-10(14)12(9)8-11(15)4-2-1-3-5-11/h15H,1-8H2.
What are the key properties of 4-[(1-hydroxycyclohexyl)methyl]thiomorpholine-3,5-dione?
4-[(1-hydroxycyclohexyl)methyl]thiomorpholine-3,5-dione has a molecular weight of 243.33 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclohexyl)methyl]thiomorpholine-3,5-dione is sourced from PubChem (CID 104570923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).