(1S,5R)-3-(2-pyrrolidin-1-ylethylsulfonyl)-3-azabicyclo[3.1.0]hexane

C11H20N2O2S — CID 91373663

IUPAC(1S,5R)-3-(2-pyrrolidin-1-ylethylsulfonyl)-3-azabicyclo[3.1.0]hexane
SMILESO=S(=O)(CCN1CCCC1)N1C[C@H]2C[C@H]2C1
InChIInChI=1S/C11H20N2O2S/c14-16(15,6-5-12-3-1-2-4-12)13-8-10-7-11(10)9-13/h10-11H,1-9H2/t10-,11+
InChIKeyJMSCLBDVTGRWTG-PHIMTYICSA-N
MW244.36 g/mol
LogP0.36
Rot. Bonds4

About (1S,5R)-3-(2-pyrrolidin-1-ylethylsulfonyl)-3-azabicyclo[3.1.0]hexane

(1S,5R)-3-(2-pyrrolidin-1-ylethylsulfonyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 91373663) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (1S,5R)-3-(2-pyrrolidin-1-ylethylsulfonyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-3-(2-pyrrolidin-1-ylethylsulfonyl)-3-azabicyclo[3.1.0]hexane
PubChem CID91373663
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name(1S,5R)-3-(2-pyrrolidin-1-ylethylsulfonyl)-3-azabicyclo[3.1.0]hexane
SMILESO=S(=O)(CCN1CCCC1)N1C[C@H]2C[C@H]2C1
InChIInChI=1S/C11H20N2O2S/c14-16(15,6-5-12-3-1-2-4-12)13-8-10-7-11(10)9-13/h10-11H,1-9H2/t10-,11+
InChIKeyJMSCLBDVTGRWTG-PHIMTYICSA-N
XLogP0.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-3-(2-pyrrolidin-1-ylethylsulfonyl)-3-azabicyclo[3.1.0]hexane 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 (1S,5R)-3-(2-pyrrolidin-1-ylethylsulfonyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-3-(2-pyrrolidin-1-ylethylsulfonyl)-3-azabicyclo[3.1.0]hexane (CID 91373663) is (1S,5R)-3-(2-pyrrolidin-1-ylethylsulfonyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-3-(2-pyrrolidin-1-ylethylsulfonyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-3-(2-pyrrolidin-1-ylethylsulfonyl)-3-azabicyclo[3.1.0]hexane is O=S(=O)(CCN1CCCC1)N1C[C@H]2C[C@H]2C1.
What is the InChIKey of (1S,5R)-3-(2-pyrrolidin-1-ylethylsulfonyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is JMSCLBDVTGRWTG-PHIMTYICSA-N. The full InChI is InChI=1S/C11H20N2O2S/c14-16(15,6-5-12-3-1-2-4-12)13-8-10-7-11(10)9-13/h10-11H,1-9H2/t10-,11+.
What are the key properties of (1S,5R)-3-(2-pyrrolidin-1-ylethylsulfonyl)-3-azabicyclo[3.1.0]hexane?
(1S,5R)-3-(2-pyrrolidin-1-ylethylsulfonyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 244.36 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(2-pyrrolidin-1-ylethylsulfonyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 91373663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).