ethyl 2-(azetidin-1-ylsulfinyl)-2-methylpropanoate;hydrochloride

C9H18ClNO3S — CID 158900530

IUPACethyl 2-(azetidin-1-ylsulfinyl)-2-methylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)S(=O)N1CCC1.Cl
InChIInChI=1S/C9H17NO3S.ClH/c1-4-13-8(11)9(2,3)14(12)10-6-5-7-10;/h4-7H2,1-3H3;1H
InChIKeyISKVRAPSUUSSQI-UHFFFAOYSA-N
MW255.77 g/mol
LogP1.12
Rot. Bonds4

About ethyl 2-(azetidin-1-ylsulfinyl)-2-methylpropanoate;hydrochloride

ethyl 2-(azetidin-1-ylsulfinyl)-2-methylpropanoate;hydrochloride (PubChem CID 158900530) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is ethyl 2-(azetidin-1-ylsulfinyl)-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(azetidin-1-ylsulfinyl)-2-methylpropanoate;hydrochloride
PubChem CID158900530
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Nameethyl 2-(azetidin-1-ylsulfinyl)-2-methylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)S(=O)N1CCC1.Cl
InChIInChI=1S/C9H17NO3S.ClH/c1-4-13-8(11)9(2,3)14(12)10-6-5-7-10;/h4-7H2,1-3H3;1H
InChIKeyISKVRAPSUUSSQI-UHFFFAOYSA-N
XLogP1.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(azetidin-1-ylsulfinyl)-2-methylpropanoate;hydrochloride 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 ethyl 2-(azetidin-1-ylsulfinyl)-2-methylpropanoate;hydrochloride?
The IUPAC name of ethyl 2-(azetidin-1-ylsulfinyl)-2-methylpropanoate;hydrochloride (CID 158900530) is ethyl 2-(azetidin-1-ylsulfinyl)-2-methylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 2-(azetidin-1-ylsulfinyl)-2-methylpropanoate;hydrochloride?
The canonical SMILES for ethyl 2-(azetidin-1-ylsulfinyl)-2-methylpropanoate;hydrochloride is CCOC(=O)C(C)(C)S(=O)N1CCC1.Cl.
What is the InChIKey of ethyl 2-(azetidin-1-ylsulfinyl)-2-methylpropanoate;hydrochloride?
The InChIKey is ISKVRAPSUUSSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S.ClH/c1-4-13-8(11)9(2,3)14(12)10-6-5-7-10;/h4-7H2,1-3H3;1H.
What are the key properties of ethyl 2-(azetidin-1-ylsulfinyl)-2-methylpropanoate;hydrochloride?
ethyl 2-(azetidin-1-ylsulfinyl)-2-methylpropanoate;hydrochloride has a molecular weight of 255.77 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(azetidin-1-ylsulfinyl)-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 158900530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).