8-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine

C13H23NO2S — CID 55095918

IUPAC8-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCS(=O)(=O)CCC1(N)CC2CC1C1CCCC21
InChIInChI=1S/C13H23NO2S/c1-17(15,16)6-5-13(14)8-9-7-12(13)11-4-2-3-10(9)11/h9-12H,2-8,14H2,1H3
InChIKeyNECPTIXBTZLNON-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.57
Rot. Bonds3

About 8-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine

8-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 55095918) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 8-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name8-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID55095918
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name8-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCS(=O)(=O)CCC1(N)CC2CC1C1CCCC21
InChIInChI=1S/C13H23NO2S/c1-17(15,16)6-5-13(14)8-9-7-12(13)11-4-2-3-10(9)11/h9-12H,2-8,14H2,1H3
InChIKeyNECPTIXBTZLNON-UHFFFAOYSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of 8-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 55095918) is 8-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for 8-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for 8-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine is CS(=O)(=O)CCC1(N)CC2CC1C1CCCC21.
What is the InChIKey of 8-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is NECPTIXBTZLNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-17(15,16)6-5-13(14)8-9-7-12(13)11-4-2-3-10(9)11/h9-12H,2-8,14H2,1H3.
What are the key properties of 8-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine?
8-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 257.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 55095918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).