1-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol

C12H23NOS — CID 65208261

IUPAC1-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
SMILESCC1CSCCN1CC1(O)CCCCC1
InChIInChI=1S/C12H23NOS/c1-11-9-15-8-7-13(11)10-12(14)5-3-2-4-6-12/h11,14H,2-10H2,1H3
InChIKeyCOZYSDFDFVJYPN-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.12
Rot. Bonds2

About 1-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol

1-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol (PubChem CID 65208261) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
PubChem CID65208261
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name1-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
SMILESCC1CSCCN1CC1(O)CCCCC1
InChIInChI=1S/C12H23NOS/c1-11-9-15-8-7-13(11)10-12(14)5-3-2-4-6-12/h11,14H,2-10H2,1H3
InChIKeyCOZYSDFDFVJYPN-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6R)-3,6-dimethyl-1-(1-methylsulfanylethyl)piperidin-3-ol
CID 166682729
1-(Thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 61518433
1-{[(Thian-4-yl)amino]methyl}cyclohexan-1-ol
CID 62868114
1-[(1-Oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-ol
CID 63950222
1-{[(Thian-3-yl)amino]methyl}cyclohexan-1-ol
CID 65107346
4-Methyl-1-[(thian-3-ylamino)methyl]cyclohexan-1-ol
CID 65115339
4-Methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol
CID 65117892
1-[[Methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
CID 65208243
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

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol (CID 65208261) is 1-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol is CC1CSCCN1CC1(O)CCCCC1.
What is the InChIKey of 1-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol?
The InChIKey is COZYSDFDFVJYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-11-9-15-8-7-13(11)10-12(14)5-3-2-4-6-12/h11,14H,2-10H2,1H3.
What are the key properties of 1-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol?
1-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol has a molecular weight of 229.39 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65208261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).