4-(3-methylsulfonylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol

C14H25NO3S — CID 105365693

IUPAC4-(3-methylsulfonylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESCS(=O)(=O)C1CCCC(C2(O)CCN3CCC2C3)C1
InChIInChI=1S/C14H25NO3S/c1-19(17,18)13-4-2-3-11(9-13)14(16)6-8-15-7-5-12(14)10-15/h11-13,16H,2-10H2,1H3
InChIKeyKGNOXKJSXRXFEF-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.05
Rot. Bonds2

About 4-(3-methylsulfonylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol

4-(3-methylsulfonylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105365693) has the molecular formula C14H25NO3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 4-(3-methylsulfonylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-(3-methylsulfonylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105365693
Molecular FormulaC14H25NO3S
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name4-(3-methylsulfonylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESCS(=O)(=O)C1CCCC(C2(O)CCN3CCC2C3)C1
InChIInChI=1S/C14H25NO3S/c1-19(17,18)13-4-2-3-11(9-13)14(16)6-8-15-7-5-12(14)10-15/h11-13,16H,2-10H2,1H3
InChIKeyKGNOXKJSXRXFEF-UHFFFAOYSA-N
XLogP1.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365876
1-(3-methylsulfonylcyclohexyl)cyclopentane-1-carbonitrile
CID 114277352
3-(3-methylsulfonylcyclohexyl)-1,1-dioxothiolane-3-carboxylic acid
CID 115337859
trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
CID 96581730
(3R)-3-methyl-1-(3-methylsulfonylcyclohexyl)piperazine
CID 104975328
methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441572
4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid
CID 105434470
N,4-dimethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-amine
CID 115305383
(1S,2S,4S)-1-(aminomethyl)-4-methylsulfonylcyclohexane-1,2-diol
CID 155797851
2-methyl-2-(3-methylsulfonylcyclohexyl)sulfonylpropanoic acid
CID 81227731
2-ethyl-1-(3-methylsulfonylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 83080272
3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol
CID 114511142

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-(3-methylsulfonylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol (CID 105365693) is 4-(3-methylsulfonylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-(3-methylsulfonylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-(3-methylsulfonylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol is CS(=O)(=O)C1CCCC(C2(O)CCN3CCC2C3)C1.
What is the InChIKey of 4-(3-methylsulfonylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is KGNOXKJSXRXFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-19(17,18)13-4-2-3-11(9-13)14(16)6-8-15-7-5-12(14)10-15/h11-13,16H,2-10H2,1H3.
What are the key properties of 4-(3-methylsulfonylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol?
4-(3-methylsulfonylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 287.43 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfonylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105365693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).