8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine

C8H16N2O2S — CID 53408520

IUPAC8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCS(=O)(=O)N1C2CCC1CC(N)C2
InChIInChI=1S/C8H16N2O2S/c1-13(11,12)10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3
InChIKeyWCTCMYLESNOTNP-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.10
Rot. Bonds1

About 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine

8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 53408520) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID53408520
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCS(=O)(=O)N1C2CCC1CC(N)C2
InChIInChI=1S/C8H16N2O2S/c1-13(11,12)10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3
InChIKeyWCTCMYLESNOTNP-UHFFFAOYSA-N
XLogP-0.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine (CID 53408520) is 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine is CS(=O)(=O)N1C2CCC1CC(N)C2.
What is the InChIKey of 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is WCTCMYLESNOTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-13(11,12)10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3.
What are the key properties of 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 204.29 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 53408520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).