(3-methylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanol

C13H25NOS — CID 103595782

IUPAC(3-methylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanol
SMILESCC1CCCC(C(O)C2CSCCN2C)C1
InChIInChI=1S/C13H25NOS/c1-10-4-3-5-11(8-10)13(15)12-9-16-7-6-14(12)2/h10-13,15H,3-9H2,1-2H3
InChIKeyMEIBIBHAPGHPHI-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.22
Rot. Bonds2

About (3-methylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanol

(3-methylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanol (PubChem CID 103595782) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is (3-methylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanol.

Molecular Properties

Compound Name(3-methylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanol
PubChem CID103595782
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name(3-methylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanol
SMILESCC1CCCC(C(O)C2CSCCN2C)C1
InChIInChI=1S/C13H25NOS/c1-10-4-3-5-11(8-10)13(15)12-9-16-7-6-14(12)2/h10-13,15H,3-9H2,1-2H3
InChIKeyMEIBIBHAPGHPHI-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595741
(3-methylcyclohexyl)-(2-methylcyclopropyl)methanol
CID 65422554
(2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595728
(3-methylcyclohexyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115808331
2-cyclopropyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 103595894
1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol
CID 103595653
(3-methylcyclohexyl)-piperidin-4-ylmethanol
CID 80560388
N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445322
1-(4-methylthiomorpholin-3-yl)-2-propoxyethanol
CID 103595498
(3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 79913976
1-(4-methylthiomorpholin-3-yl)hex-5-en-1-ol
CID 103595783
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanol?
The IUPAC name of (3-methylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanol (CID 103595782) is (3-methylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanol.
What is the SMILES notation for (3-methylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanol?
The canonical SMILES for (3-methylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanol is CC1CCCC(C(O)C2CSCCN2C)C1.
What is the InChIKey of (3-methylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanol?
The InChIKey is MEIBIBHAPGHPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-10-4-3-5-11(8-10)13(15)12-9-16-7-6-14(12)2/h10-13,15H,3-9H2,1-2H3.
What are the key properties of (3-methylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanol?
(3-methylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanol has a molecular weight of 243.42 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanol is sourced from PubChem (CID 103595782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).