3-thiophen-3-ylazetidin-3-ol;hydrochloride

C7H10ClNOS — CID 146049908

IUPAC3-thiophen-3-ylazetidin-3-ol;hydrochloride
SMILESCl.OC1(c2ccsc2)CNC1
InChIInChI=1S/C7H9NOS.ClH/c9-7(4-8-5-7)6-1-2-10-3-6;/h1-3,8-9H,4-5H2;1H
InChIKeyJFLMLMNCHZEFHU-UHFFFAOYSA-N
MW191.68 g/mol
LogP0.96
Rot. Bonds1

About 3-thiophen-3-ylazetidin-3-ol;hydrochloride

3-thiophen-3-ylazetidin-3-ol;hydrochloride (PubChem CID 146049908) has the molecular formula C7H10ClNOS and a molecular weight of 191.68 g/mol. Its IUPAC name is 3-thiophen-3-ylazetidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-thiophen-3-ylazetidin-3-ol;hydrochloride
PubChem CID146049908
Molecular FormulaC7H10ClNOS
Molecular Weight191.68 g/mol
Exact Mass191.02
IUPAC Name3-thiophen-3-ylazetidin-3-ol;hydrochloride
SMILESCl.OC1(c2ccsc2)CNC1
InChIInChI=1S/C7H9NOS.ClH/c9-7(4-8-5-7)6-1-2-10-3-6;/h1-3,8-9H,4-5H2;1H
InChIKeyJFLMLMNCHZEFHU-UHFFFAOYSA-N
XLogP0.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.68
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-ylazetidin-3-ol;hydrochloride?
The IUPAC name of 3-thiophen-3-ylazetidin-3-ol;hydrochloride (CID 146049908) is 3-thiophen-3-ylazetidin-3-ol;hydrochloride.
What is the SMILES notation for 3-thiophen-3-ylazetidin-3-ol;hydrochloride?
The canonical SMILES for 3-thiophen-3-ylazetidin-3-ol;hydrochloride is Cl.OC1(c2ccsc2)CNC1.
What is the InChIKey of 3-thiophen-3-ylazetidin-3-ol;hydrochloride?
The InChIKey is JFLMLMNCHZEFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS.ClH/c9-7(4-8-5-7)6-1-2-10-3-6;/h1-3,8-9H,4-5H2;1H.
What are the key properties of 3-thiophen-3-ylazetidin-3-ol;hydrochloride?
3-thiophen-3-ylazetidin-3-ol;hydrochloride has a molecular weight of 191.68 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-ylazetidin-3-ol;hydrochloride is sourced from PubChem (CID 146049908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).