2,2-dimethyl-6-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol

C14H27NOS — CID 79848984

IUPAC2,2-dimethyl-6-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
SMILESCC1CSCCN1CC1CCCC(C)(C)C1O
InChIInChI=1S/C14H27NOS/c1-11-10-17-8-7-15(11)9-12-5-4-6-14(2,3)13(12)16/h11-13,16H,4-10H2,1-3H3
InChIKeyPMIOEMAKQAGQEC-UHFFFAOYSA-N
MW257.44 g/mol
LogP2.61
Rot. Bonds2

About 2,2-dimethyl-6-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol

2,2-dimethyl-6-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol (PubChem CID 79848984) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 2,2-dimethyl-6-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-6-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
PubChem CID79848984
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name2,2-dimethyl-6-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
SMILESCC1CSCCN1CC1CCCC(C)(C)C1O
InChIInChI=1S/C14H27NOS/c1-11-10-17-8-7-15(11)9-12-5-4-6-14(2,3)13(12)16/h11-13,16H,4-10H2,1-3H3
InChIKeyPMIOEMAKQAGQEC-UHFFFAOYSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-6-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-ol
CID 79849131
2,2-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 79852553
3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine
CID 131176317
2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol
CID 79856040
6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848433
2,2-dimethyl-6-(morpholin-4-ylmethyl)cyclohexan-1-ol
CID 79848658
6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848349
6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-ol
CID 79843515
6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79848332
6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 102967513
6-[(4-tert-butylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79843711
6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848579

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 2,2-dimethyl-6-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol (CID 79848984) is 2,2-dimethyl-6-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2,2-dimethyl-6-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2,2-dimethyl-6-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol is CC1CSCCN1CC1CCCC(C)(C)C1O.
What is the InChIKey of 2,2-dimethyl-6-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol?
The InChIKey is PMIOEMAKQAGQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-11-10-17-8-7-15(11)9-12-5-4-6-14(2,3)13(12)16/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol?
2,2-dimethyl-6-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol has a molecular weight of 257.44 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 79848984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).