3-cyclohexyl-3-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane

C15H27NS — CID 58695795

IUPAC3-cyclohexyl-3-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane
SMILESCSCC1(C2CCCCC2)CC2CCC(C1)N2
InChIInChI=1S/C15H27NS/c1-17-11-15(12-5-3-2-4-6-12)9-13-7-8-14(10-15)16-13/h12-14,16H,2-11H2,1H3
InChIKeyJEVTUKLSYBIAGB-UHFFFAOYSA-N
MW253.45 g/mol
LogP3.83
Rot. Bonds3

About 3-cyclohexyl-3-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane

3-cyclohexyl-3-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 58695795) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is 3-cyclohexyl-3-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-cyclohexyl-3-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane
PubChem CID58695795
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name3-cyclohexyl-3-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane
SMILESCSCC1(C2CCCCC2)CC2CCC(C1)N2
InChIInChI=1S/C15H27NS/c1-17-11-15(12-5-3-2-4-6-12)9-13-7-8-14(10-15)16-13/h12-14,16H,2-11H2,1H3
InChIKeyJEVTUKLSYBIAGB-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-cyclohexyl-3-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane (CID 58695795) is 3-cyclohexyl-3-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-cyclohexyl-3-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-cyclohexyl-3-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane is CSCC1(C2CCCCC2)CC2CCC(C1)N2.
What is the InChIKey of 3-cyclohexyl-3-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is JEVTUKLSYBIAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-17-11-15(12-5-3-2-4-6-12)9-13-7-8-14(10-15)16-13/h12-14,16H,2-11H2,1H3.
What are the key properties of 3-cyclohexyl-3-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane?
3-cyclohexyl-3-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 253.45 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-(methylsulfanylmethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58695795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).