2-(1-hydroxycyclohexyl)-1-thiomorpholin-4-ylethanone

C12H21NO2S — CID 111331906

IUPAC2-(1-hydroxycyclohexyl)-1-thiomorpholin-4-ylethanone
SMILESO=C(CC1(O)CCCCC1)N1CCSCC1
InChIInChI=1S/C12H21NO2S/c14-11(13-6-8-16-9-7-13)10-12(15)4-2-1-3-5-12/h15H,1-10H2
InChIKeySCAMXCBGXOOEAA-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.65
Rot. Bonds2

About 2-(1-hydroxycyclohexyl)-1-thiomorpholin-4-ylethanone

2-(1-hydroxycyclohexyl)-1-thiomorpholin-4-ylethanone (PubChem CID 111331906) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-1-thiomorpholin-4-ylethanone
PubChem CID111331906
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name2-(1-hydroxycyclohexyl)-1-thiomorpholin-4-ylethanone
SMILESO=C(CC1(O)CCCCC1)N1CCSCC1
InChIInChI=1S/C12H21NO2S/c14-11(13-6-8-16-9-7-13)10-12(15)4-2-1-3-5-12/h15H,1-10H2
InChIKeySCAMXCBGXOOEAA-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-(1-hydroxycyclohexyl)-1-thiomorpholin-4-ylethanone (CID 111331906) is 2-(1-hydroxycyclohexyl)-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-1-thiomorpholin-4-ylethanone is O=C(CC1(O)CCCCC1)N1CCSCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-1-thiomorpholin-4-ylethanone?
The InChIKey is SCAMXCBGXOOEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c14-11(13-6-8-16-9-7-13)10-12(15)4-2-1-3-5-12/h15H,1-10H2.
What are the key properties of 2-(1-hydroxycyclohexyl)-1-thiomorpholin-4-ylethanone?
2-(1-hydroxycyclohexyl)-1-thiomorpholin-4-ylethanone has a molecular weight of 243.37 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 111331906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).