2-(3-methylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine

C11H21NO2S — CID 65020003

IUPAC2-(3-methylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCS(=O)(=O)CCCC1(N)CC2CCC1C2
InChIInChI=1S/C11H21NO2S/c1-15(13,14)6-2-5-11(12)8-9-3-4-10(11)7-9/h9-10H,2-8,12H2,1H3
InChIKeyDXCBMUMQHNAFQJ-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.33
Rot. Bonds4

About 2-(3-methylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine

2-(3-methylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 65020003) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-(3-methylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-(3-methylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID65020003
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name2-(3-methylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCS(=O)(=O)CCCC1(N)CC2CCC1C2
InChIInChI=1S/C11H21NO2S/c1-15(13,14)6-2-5-11(12)8-9-3-4-10(11)7-9/h9-10H,2-8,12H2,1H3
InChIKeyDXCBMUMQHNAFQJ-UHFFFAOYSA-N
XLogP1.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-(3-methylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine (CID 65020003) is 2-(3-methylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-(3-methylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-(3-methylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine is CS(=O)(=O)CCCC1(N)CC2CCC1C2.
What is the InChIKey of 2-(3-methylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is DXCBMUMQHNAFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-15(13,14)6-2-5-11(12)8-9-3-4-10(11)7-9/h9-10H,2-8,12H2,1H3.
What are the key properties of 2-(3-methylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine?
2-(3-methylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 231.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65020003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).