3-methyl-4-(pyridin-2-ylmethylsulfanyl)azetidin-2-one;hydrochloride

C10H13ClN2OS — CID 70012457

IUPAC3-methyl-4-(pyridin-2-ylmethylsulfanyl)azetidin-2-one;hydrochloride
SMILESCC1C(=O)NC1SCc1ccccn1.Cl
InChIInChI=1S/C10H12N2OS.ClH/c1-7-9(13)12-10(7)14-6-8-4-2-3-5-11-8;/h2-5,7,10H,6H2,1H3,(H,12,13);1H
InChIKeyTUMAASPCGMSTOF-UHFFFAOYSA-N
MW244.75 g/mol
LogP1.83
Rot. Bonds3

About 3-methyl-4-(pyridin-2-ylmethylsulfanyl)azetidin-2-one;hydrochloride

3-methyl-4-(pyridin-2-ylmethylsulfanyl)azetidin-2-one;hydrochloride (PubChem CID 70012457) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 3-methyl-4-(pyridin-2-ylmethylsulfanyl)azetidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-methyl-4-(pyridin-2-ylmethylsulfanyl)azetidin-2-one;hydrochloride
PubChem CID70012457
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name3-methyl-4-(pyridin-2-ylmethylsulfanyl)azetidin-2-one;hydrochloride
SMILESCC1C(=O)NC1SCc1ccccn1.Cl
InChIInChI=1S/C10H12N2OS.ClH/c1-7-9(13)12-10(7)14-6-8-4-2-3-5-11-8;/h2-5,7,10H,6H2,1H3,(H,12,13);1H
InChIKeyTUMAASPCGMSTOF-UHFFFAOYSA-N
XLogP1.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-(pyridin-2-ylmethylsulfanyl)azetidin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone
CID 95299053
3-cyclopropyl-6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962391
2-ethylpyridine;sulfane
CID 67363352
ethane;2-ethylpyridine
CID 91102000
6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962332
2-[(5-methyl-2,3-dihydrothiophen-2-yl)sulfanylmethyl]pyridine
CID 57320214
2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine
CID 71346411
2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
CID 86021150
2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 19829479
3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64901440
4-propan-2-yl-2-(pyridin-2-ylmethyl)-1,4-dihydroimidazol-5-one
CID 106953132

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(pyridin-2-ylmethylsulfanyl)azetidin-2-one;hydrochloride?
The IUPAC name of 3-methyl-4-(pyridin-2-ylmethylsulfanyl)azetidin-2-one;hydrochloride (CID 70012457) is 3-methyl-4-(pyridin-2-ylmethylsulfanyl)azetidin-2-one;hydrochloride.
What is the SMILES notation for 3-methyl-4-(pyridin-2-ylmethylsulfanyl)azetidin-2-one;hydrochloride?
The canonical SMILES for 3-methyl-4-(pyridin-2-ylmethylsulfanyl)azetidin-2-one;hydrochloride is CC1C(=O)NC1SCc1ccccn1.Cl.
What is the InChIKey of 3-methyl-4-(pyridin-2-ylmethylsulfanyl)azetidin-2-one;hydrochloride?
The InChIKey is TUMAASPCGMSTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS.ClH/c1-7-9(13)12-10(7)14-6-8-4-2-3-5-11-8;/h2-5,7,10H,6H2,1H3,(H,12,13);1H.
What are the key properties of 3-methyl-4-(pyridin-2-ylmethylsulfanyl)azetidin-2-one;hydrochloride?
3-methyl-4-(pyridin-2-ylmethylsulfanyl)azetidin-2-one;hydrochloride has a molecular weight of 244.75 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(pyridin-2-ylmethylsulfanyl)azetidin-2-one;hydrochloride is sourced from PubChem (CID 70012457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).