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

C13H23NO2S — CID 54932165

IUPACN-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCS(=O)(=O)CCNC1CC2CC1C1CCCC21
InChIInChI=1S/C13H23NO2S/c1-17(15,16)6-5-14-13-8-9-7-12(13)11-4-2-3-10(9)11/h9-14H,2-8H2,1H3
InChIKeyDGGUGDFXGSFHOL-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.45
Rot. Bonds4

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

N-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 54932165) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID54932165
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCS(=O)(=O)CCNC1CC2CC1C1CCCC21
InChIInChI=1S/C13H23NO2S/c1-17(15,16)6-5-14-13-8-9-7-12(13)11-4-2-3-10(9)11/h9-14H,2-8H2,1H3
InChIKeyDGGUGDFXGSFHOL-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 54932165) is N-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine is CS(=O)(=O)CCNC1CC2CC1C1CCCC21.
What is the InChIKey of N-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is DGGUGDFXGSFHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-17(15,16)6-5-14-13-8-9-7-12(13)11-4-2-3-10(9)11/h9-14H,2-8H2,1H3.
What are the key properties of N-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 257.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 54932165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).