4-(azetidin-3-yloxy)-1-cyclopropylsulfonylpiperidine

C11H20N2O3S — CID 165450816

IUPAC4-(azetidin-3-yloxy)-1-cyclopropylsulfonylpiperidine
SMILESO=S(=O)(C1CC1)N1CCC(OC2CNC2)CC1
InChIInChI=1S/C11H20N2O3S/c14-17(15,11-1-2-11)13-5-3-9(4-6-13)16-10-7-12-8-10/h9-12H,1-8H2
InChIKeyITNMKWZNXDHQIA-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.07
Rot. Bonds4

About 4-(azetidin-3-yloxy)-1-cyclopropylsulfonylpiperidine

4-(azetidin-3-yloxy)-1-cyclopropylsulfonylpiperidine (PubChem CID 165450816) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-1-cyclopropylsulfonylpiperidine.

Molecular Properties

Compound Name4-(azetidin-3-yloxy)-1-cyclopropylsulfonylpiperidine
PubChem CID165450816
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name4-(azetidin-3-yloxy)-1-cyclopropylsulfonylpiperidine
SMILESO=S(=O)(C1CC1)N1CCC(OC2CNC2)CC1
InChIInChI=1S/C11H20N2O3S/c14-17(15,11-1-2-11)13-5-3-9(4-6-13)16-10-7-12-8-10/h9-12H,1-8H2
InChIKeyITNMKWZNXDHQIA-UHFFFAOYSA-N
XLogP-0.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(azetidin-3-yloxy)-1-cyclopropylsulfonylpiperidine 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 4-(azetidin-3-yloxy)-1-cyclopropylsulfonylpiperidine?
The IUPAC name of 4-(azetidin-3-yloxy)-1-cyclopropylsulfonylpiperidine (CID 165450816) is 4-(azetidin-3-yloxy)-1-cyclopropylsulfonylpiperidine.
What is the SMILES notation for 4-(azetidin-3-yloxy)-1-cyclopropylsulfonylpiperidine?
The canonical SMILES for 4-(azetidin-3-yloxy)-1-cyclopropylsulfonylpiperidine is O=S(=O)(C1CC1)N1CCC(OC2CNC2)CC1.
What is the InChIKey of 4-(azetidin-3-yloxy)-1-cyclopropylsulfonylpiperidine?
The InChIKey is ITNMKWZNXDHQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c14-17(15,11-1-2-11)13-5-3-9(4-6-13)16-10-7-12-8-10/h9-12H,1-8H2.
What are the key properties of 4-(azetidin-3-yloxy)-1-cyclopropylsulfonylpiperidine?
4-(azetidin-3-yloxy)-1-cyclopropylsulfonylpiperidine has a molecular weight of 260.36 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxy)-1-cyclopropylsulfonylpiperidine is sourced from PubChem (CID 165450816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).