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

C12H23NO2S — CID 65096418

IUPAC2-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCCS(=O)(=O)CCCC1(N)CC2CCC1C2
InChIInChI=1S/C12H23NO2S/c1-2-16(14,15)7-3-6-12(13)9-10-4-5-11(12)8-10/h10-11H,2-9,13H2,1H3
InChIKeyRPQRYPPWHVDMAE-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.72
Rot. Bonds5

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

2-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 65096418) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID65096418
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name2-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCCS(=O)(=O)CCCC1(N)CC2CCC1C2
InChIInChI=1S/C12H23NO2S/c1-2-16(14,15)7-3-6-12(13)9-10-4-5-11(12)8-10/h10-11H,2-9,13H2,1H3
InChIKeyRPQRYPPWHVDMAE-UHFFFAOYSA-N
XLogP1.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine (CID 65096418) is 2-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine is CCS(=O)(=O)CCCC1(N)CC2CCC1C2.
What is the InChIKey of 2-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is RPQRYPPWHVDMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-2-16(14,15)7-3-6-12(13)9-10-4-5-11(12)8-10/h10-11H,2-9,13H2,1H3.
What are the key properties of 2-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine?
2-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 245.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65096418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).