3-[5-methyl-2-(methylamino)cyclohexyl]sulfanylpropane-1,2-diol

C11H23NO2S — CID 79670463

IUPAC3-[5-methyl-2-(methylamino)cyclohexyl]sulfanylpropane-1,2-diol
SMILESCNC1CCC(C)CC1SCC(O)CO
InChIInChI=1S/C11H23NO2S/c1-8-3-4-10(12-2)11(5-8)15-7-9(14)6-13/h8-14H,3-7H2,1-2H3
InChIKeyGQKQFWVOFDXJOV-UHFFFAOYSA-N
MW233.38 g/mol
LogP0.85
Rot. Bonds5

About 3-[5-methyl-2-(methylamino)cyclohexyl]sulfanylpropane-1,2-diol

3-[5-methyl-2-(methylamino)cyclohexyl]sulfanylpropane-1,2-diol (PubChem CID 79670463) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 3-[5-methyl-2-(methylamino)cyclohexyl]sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-[5-methyl-2-(methylamino)cyclohexyl]sulfanylpropane-1,2-diol
PubChem CID79670463
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name3-[5-methyl-2-(methylamino)cyclohexyl]sulfanylpropane-1,2-diol
SMILESCNC1CCC(C)CC1SCC(O)CO
InChIInChI=1S/C11H23NO2S/c1-8-3-4-10(12-2)11(5-8)15-7-9(14)6-13/h8-14H,3-7H2,1-2H3
InChIKeyGQKQFWVOFDXJOV-UHFFFAOYSA-N
XLogP0.85
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol
CID 79683415
2-methyl-3-[2-methyl-3-(methylamino)cyclopentyl]sulfanylpropan-1-ol
CID 66104792
2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine
CID 64609500
2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol
CID 64615464
2-(3-hydroxy-2-methylpropyl)sulfanyl-4-methylcyclohexane-1-carboxylic acid
CID 66104555
2-methyl-3-[4-(methylamino)oxan-3-yl]sulfanylpropan-1-ol
CID 66103233
3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol
CID 79671709
2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine
CID 64619503
3-[5,5-dimethyl-2-(methylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol
CID 66105669
4-methyl-2-(2-methylpropylsulfanyl)cyclohexane-1-carboxylic acid
CID 63098596
2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine
CID 64620731
3-(2-amino-3,3-dimethylcyclohexyl)sulfanylpropane-1,2-diol
CID 79852406

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-2-(methylamino)cyclohexyl]sulfanylpropane-1,2-diol?
The IUPAC name of 3-[5-methyl-2-(methylamino)cyclohexyl]sulfanylpropane-1,2-diol (CID 79670463) is 3-[5-methyl-2-(methylamino)cyclohexyl]sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-[5-methyl-2-(methylamino)cyclohexyl]sulfanylpropane-1,2-diol?
The canonical SMILES for 3-[5-methyl-2-(methylamino)cyclohexyl]sulfanylpropane-1,2-diol is CNC1CCC(C)CC1SCC(O)CO.
What is the InChIKey of 3-[5-methyl-2-(methylamino)cyclohexyl]sulfanylpropane-1,2-diol?
The InChIKey is GQKQFWVOFDXJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-8-3-4-10(12-2)11(5-8)15-7-9(14)6-13/h8-14H,3-7H2,1-2H3.
What are the key properties of 3-[5-methyl-2-(methylamino)cyclohexyl]sulfanylpropane-1,2-diol?
3-[5-methyl-2-(methylamino)cyclohexyl]sulfanylpropane-1,2-diol has a molecular weight of 233.38 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-2-(methylamino)cyclohexyl]sulfanylpropane-1,2-diol is sourced from PubChem (CID 79670463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).