1-[(2-ethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol

C13H25NOS — CID 115666559

IUPAC1-[(2-ethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
SMILESCCC1CN(CC2(O)CCCCC2)CCS1
InChIInChI=1S/C13H25NOS/c1-2-12-10-14(8-9-16-12)11-13(15)6-4-3-5-7-13/h12,15H,2-11H2,1H3
InChIKeyDVIYSGFJFIFNGP-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.51
Rot. Bonds3

About 1-[(2-ethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol

1-[(2-ethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol (PubChem CID 115666559) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 1-[(2-ethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-ethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
PubChem CID115666559
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name1-[(2-ethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
SMILESCCC1CN(CC2(O)CCCCC2)CCS1
InChIInChI=1S/C13H25NOS/c1-2-12-10-14(8-9-16-12)11-13(15)6-4-3-5-7-13/h12,15H,2-11H2,1H3
InChIKeyDVIYSGFJFIFNGP-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1-thiomorpholin-4-ylpentan-2-ol
CID 69729823
1-(Thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 61518433
4-[(1-Hydroxycyclohexyl)methyl]-1lambda6-thiomorpholine-1,1-dione
CID 63633097
1-[(1-Oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol
CID 63950222
1-[[Methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
CID 65208243
1-[(3-Methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
CID 65208261
1-[(2,6-Dimethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
CID 65208316
1-(1,4-Thiazepan-4-ylmethyl)cyclohexan-1-ol
CID 65208589
1-((3-Methylthiomorpholino)methyl)cyclopentan-1-ol
CID 65212845
1-[(2,6-Dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol
CID 65212894
1-(Thiomorpholin-4-ylmethyl)cyclopentan-1-ol
CID 65213206
1-[2-(Diethylamino)ethylsulfanylmethyl]cyclohexan-1-ol
CID 65669257

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2-ethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol (CID 115666559) is 1-[(2-ethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-ethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2-ethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol is CCC1CN(CC2(O)CCCCC2)CCS1.
What is the InChIKey of 1-[(2-ethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol?
The InChIKey is DVIYSGFJFIFNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-2-12-10-14(8-9-16-12)11-13(15)6-4-3-5-7-13/h12,15H,2-11H2,1H3.
What are the key properties of 1-[(2-ethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol?
1-[(2-ethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol has a molecular weight of 243.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 115666559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).