8-(cyclohexylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol

C14H25NO3S — CID 63763529

IUPAC8-(cyclohexylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(CC1CCCCC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H25NO3S/c16-14-8-12-6-7-13(9-14)15(12)19(17,18)10-11-4-2-1-3-5-11/h11-14,16H,1-10H2
InChIKeyLVAIUNZZERSEAT-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.88
Rot. Bonds3

About 8-(cyclohexylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(cyclohexylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63763529) has the molecular formula C14H25NO3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 8-(cyclohexylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(cyclohexylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63763529
Molecular FormulaC14H25NO3S
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name8-(cyclohexylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(CC1CCCCC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H25NO3S/c16-14-8-12-6-7-13(9-14)15(12)19(17,18)10-11-4-2-1-3-5-11/h11-14,16H,1-10H2
InChIKeyLVAIUNZZERSEAT-UHFFFAOYSA-N
XLogP1.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(cyclohexylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63763529) is 8-(cyclohexylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(cyclohexylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(cyclohexylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is O=S(=O)(CC1CCCCC1)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-(cyclohexylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is LVAIUNZZERSEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c16-14-8-12-6-7-13(9-14)15(12)19(17,18)10-11-4-2-1-3-5-11/h11-14,16H,1-10H2.
What are the key properties of 8-(cyclohexylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(cyclohexylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 287.43 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63763529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).