N-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine

C14H25NO2S — CID 54906144

IUPACN-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCS(=O)(=O)CCCNC1CC2CC1C1CCCC21
InChIInChI=1S/C14H25NO2S/c1-18(16,17)7-3-6-15-14-9-10-8-13(14)12-5-2-4-11(10)12/h10-15H,2-9H2,1H3
InChIKeyFLEKRQOWQQGIEG-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.84
Rot. Bonds5

About N-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 54906144) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID54906144
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC NameN-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCS(=O)(=O)CCCNC1CC2CC1C1CCCC21
InChIInChI=1S/C14H25NO2S/c1-18(16,17)7-3-6-15-14-9-10-8-13(14)12-5-2-4-11(10)12/h10-15H,2-9H2,1H3
InChIKeyFLEKRQOWQQGIEG-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methylsulfonylpropyl)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-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 54906144) is N-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine is CS(=O)(=O)CCCNC1CC2CC1C1CCCC21.
What is the InChIKey of N-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is FLEKRQOWQQGIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-18(16,17)7-3-6-15-14-9-10-8-13(14)12-5-2-4-11(10)12/h10-15H,2-9H2,1H3.
What are the key properties of N-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 271.43 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 54906144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).