6-cyclopentylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine

C12H22N2O2S — CID 165477008

IUPAC6-cyclopentylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CC(C1)N(S(=O)(=O)C1CCCC1)C2
InChIInChI=1S/C12H22N2O2S/c13-10-5-9-6-11(7-10)14(8-9)17(15,16)12-3-1-2-4-12/h9-12H,1-8,13H2
InChIKeyWJQQTXUZBHLCBX-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.07
Rot. Bonds2

About 6-cyclopentylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine

6-cyclopentylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine (PubChem CID 165477008) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 6-cyclopentylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name6-cyclopentylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine
PubChem CID165477008
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name6-cyclopentylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CC(C1)N(S(=O)(=O)C1CCCC1)C2
InChIInChI=1S/C12H22N2O2S/c13-10-5-9-6-11(7-10)14(8-9)17(15,16)12-3-1-2-4-12/h9-12H,1-8,13H2
InChIKeyWJQQTXUZBHLCBX-UHFFFAOYSA-N
XLogP1.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 6-cyclopentylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine (CID 165477008) is 6-cyclopentylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 6-cyclopentylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 6-cyclopentylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine is NC1CC2CC(C1)N(S(=O)(=O)C1CCCC1)C2.
What is the InChIKey of 6-cyclopentylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is WJQQTXUZBHLCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c13-10-5-9-6-11(7-10)14(8-9)17(15,16)12-3-1-2-4-12/h9-12H,1-8,13H2.
What are the key properties of 6-cyclopentylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine?
6-cyclopentylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 258.39 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 165477008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).