4-(2,6-dimethylthiomorpholin-4-yl)cyclohexan-1-ol

C12H23NOS — CID 114762605

IUPAC4-(2,6-dimethylthiomorpholin-4-yl)cyclohexan-1-ol
SMILESCC1CN(C2CCC(O)CC2)CC(C)S1
InChIInChI=1S/C12H23NOS/c1-9-7-13(8-10(2)15-9)11-3-5-12(14)6-4-11/h9-12,14H,3-8H2,1-2H3
InChIKeyFZOBLFKSUOEGHV-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.12
Rot. Bonds1

About 4-(2,6-dimethylthiomorpholin-4-yl)cyclohexan-1-ol

4-(2,6-dimethylthiomorpholin-4-yl)cyclohexan-1-ol (PubChem CID 114762605) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 4-(2,6-dimethylthiomorpholin-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2,6-dimethylthiomorpholin-4-yl)cyclohexan-1-ol
PubChem CID114762605
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name4-(2,6-dimethylthiomorpholin-4-yl)cyclohexan-1-ol
SMILESCC1CN(C2CCC(O)CC2)CC(C)S1
InChIInChI=1S/C12H23NOS/c1-9-7-13(8-10(2)15-9)11-3-5-12(14)6-4-11/h9-12,14H,3-8H2,1-2H3
InChIKeyFZOBLFKSUOEGHV-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

2-(Thiomorpholin-4-yl)cyclohexan-1-ol
CID 60886308
3-Thiomorpholin-4-ylcyclohexan-1-ol
CID 70799538
4-Thiomorpholin-4-ylcyclohexan-1-ol
CID 70799539
(4R)-1-thiomorpholin-4-yloctan-4-ol
CID 89750878
(4S)-1-thiomorpholin-4-yloctan-4-ol
CID 89750898
3-Thiomorpholin-4-ylhexan-1-ol
CID 91341561
4-(1,1-Dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
CID 104549120
(5S)-10-thiomorpholin-4-yldecan-5-ol
CID 118889814
(5R)-10-thiomorpholin-4-yldecan-5-ol
CID 118890134
9-Thiomorpholin-4-ylnonan-4-ol
CID 123851277
1-Thiomorpholin-4-ylheptan-4-ol
CID 144711894
Ethane;6-thiomorpholin-4-ylhexan-1-ol
CID 144712015

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylthiomorpholin-4-yl)cyclohexan-1-ol?
The IUPAC name of 4-(2,6-dimethylthiomorpholin-4-yl)cyclohexan-1-ol (CID 114762605) is 4-(2,6-dimethylthiomorpholin-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(2,6-dimethylthiomorpholin-4-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(2,6-dimethylthiomorpholin-4-yl)cyclohexan-1-ol is CC1CN(C2CCC(O)CC2)CC(C)S1.
What is the InChIKey of 4-(2,6-dimethylthiomorpholin-4-yl)cyclohexan-1-ol?
The InChIKey is FZOBLFKSUOEGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-9-7-13(8-10(2)15-9)11-3-5-12(14)6-4-11/h9-12,14H,3-8H2,1-2H3.
What are the key properties of 4-(2,6-dimethylthiomorpholin-4-yl)cyclohexan-1-ol?
4-(2,6-dimethylthiomorpholin-4-yl)cyclohexan-1-ol has a molecular weight of 229.39 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylthiomorpholin-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 114762605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).