2-(2-methylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine

C10H19NO2S — CID 65019773

IUPAC2-(2-methylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCS(=O)(=O)CCC1(N)CC2CCC1C2
InChIInChI=1S/C10H19NO2S/c1-14(12,13)5-4-10(11)7-8-2-3-9(10)6-8/h8-9H,2-7,11H2,1H3
InChIKeyRFKHGCPSYOWKKP-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.94
Rot. Bonds3

About 2-(2-methylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine

2-(2-methylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 65019773) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-(2-methylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-(2-methylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID65019773
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name2-(2-methylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCS(=O)(=O)CCC1(N)CC2CCC1C2
InChIInChI=1S/C10H19NO2S/c1-14(12,13)5-4-10(11)7-8-2-3-9(10)6-8/h8-9H,2-7,11H2,1H3
InChIKeyRFKHGCPSYOWKKP-UHFFFAOYSA-N
XLogP0.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylsulfonylethyl)bicyclo[2.2.1]heptan-2-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 2-(2-methylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-(2-methylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine (CID 65019773) is 2-(2-methylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-(2-methylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-(2-methylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine is CS(=O)(=O)CCC1(N)CC2CCC1C2.
What is the InChIKey of 2-(2-methylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is RFKHGCPSYOWKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-14(12,13)5-4-10(11)7-8-2-3-9(10)6-8/h8-9H,2-7,11H2,1H3.
What are the key properties of 2-(2-methylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine?
2-(2-methylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 217.33 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65019773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).