2-[methyl-(3-methylsulfonylcyclohexyl)amino]cyclohexan-1-ol

C14H27NO3S — CID 102636517

IUPAC2-[methyl-(3-methylsulfonylcyclohexyl)amino]cyclohexan-1-ol
SMILESCN(C1CCCC(S(C)(=O)=O)C1)C1CCCCC1O
InChIInChI=1S/C14H27NO3S/c1-15(13-8-3-4-9-14(13)16)11-6-5-7-12(10-11)19(2,17)18/h11-14,16H,3-10H2,1-2H3
InChIKeyFONZZXJDJNMYIA-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.58
Rot. Bonds3

About 2-[methyl-(3-methylsulfonylcyclohexyl)amino]cyclohexan-1-ol

2-[methyl-(3-methylsulfonylcyclohexyl)amino]cyclohexan-1-ol (PubChem CID 102636517) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-[methyl-(3-methylsulfonylcyclohexyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl-(3-methylsulfonylcyclohexyl)amino]cyclohexan-1-ol
PubChem CID102636517
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name2-[methyl-(3-methylsulfonylcyclohexyl)amino]cyclohexan-1-ol
SMILESCN(C1CCCC(S(C)(=O)=O)C1)C1CCCCC1O
InChIInChI=1S/C14H27NO3S/c1-15(13-8-3-4-9-14(13)16)11-6-5-7-12(10-11)19(2,17)18/h11-14,16H,3-10H2,1-2H3
InChIKeyFONZZXJDJNMYIA-UHFFFAOYSA-N
XLogP1.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol
CID 93317461
2-[(3-aminocyclohexyl)-methylamino]cyclohexan-1-ol
CID 102640048
trans-(1R,2R)-2-[cyclopropyl(methyl)amino]cyclohexan-1-ol
CID 102731882
2-[methyl-(3-methylcyclohexyl)amino]cyclopentan-1-ol
CID 61446890
2-[(2-hydroxycyclohexyl)-methylamino]cycloheptan-1-ol
CID 102635791
trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
CID 96581730
2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol
CID 66185277
2-[methyl-(4-methylcyclohexyl)amino]cyclopentan-1-ol
CID 60711910
2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol
CID 60714732
2-[azetidin-3-yl(methyl)amino]cyclopentan-1-ol
CID 66184796
trans-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-1-ol
CID 102734871
2-methyl-2-[methyl-(3-methylsulfonylcyclohexyl)amino]propan-1-ol
CID 115927687

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-methylsulfonylcyclohexyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[methyl-(3-methylsulfonylcyclohexyl)amino]cyclohexan-1-ol (CID 102636517) is 2-[methyl-(3-methylsulfonylcyclohexyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[methyl-(3-methylsulfonylcyclohexyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[methyl-(3-methylsulfonylcyclohexyl)amino]cyclohexan-1-ol is CN(C1CCCC(S(C)(=O)=O)C1)C1CCCCC1O.
What is the InChIKey of 2-[methyl-(3-methylsulfonylcyclohexyl)amino]cyclohexan-1-ol?
The InChIKey is FONZZXJDJNMYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-15(13-8-3-4-9-14(13)16)11-6-5-7-12(10-11)19(2,17)18/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 2-[methyl-(3-methylsulfonylcyclohexyl)amino]cyclohexan-1-ol?
2-[methyl-(3-methylsulfonylcyclohexyl)amino]cyclohexan-1-ol has a molecular weight of 289.44 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-methylsulfonylcyclohexyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102636517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).