3-[(5-chlorothiophen-2-yl)methylsulfinylmethyl]azetidine

C9H12ClNOS2 — CID 81198204

IUPAC3-[(5-chlorothiophen-2-yl)methylsulfinylmethyl]azetidine
SMILESO=S(Cc1ccc(Cl)s1)CC1CNC1
InChIInChI=1S/C9H12ClNOS2/c10-9-2-1-8(13-9)6-14(12)5-7-3-11-4-7/h1-2,7,11H,3-6H2
InChIKeyJAHPKKYMERABEO-UHFFFAOYSA-N
MW249.79 g/mol
LogP1.87
Rot. Bonds4

About 3-[(5-chlorothiophen-2-yl)methylsulfinylmethyl]azetidine

3-[(5-chlorothiophen-2-yl)methylsulfinylmethyl]azetidine (PubChem CID 81198204) has the molecular formula C9H12ClNOS2 and a molecular weight of 249.79 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methylsulfinylmethyl]azetidine.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methylsulfinylmethyl]azetidine
PubChem CID81198204
Molecular FormulaC9H12ClNOS2
Molecular Weight249.79 g/mol
Exact Mass249.00
IUPAC Name3-[(5-chlorothiophen-2-yl)methylsulfinylmethyl]azetidine
SMILESO=S(Cc1ccc(Cl)s1)CC1CNC1
InChIInChI=1S/C9H12ClNOS2/c10-9-2-1-8(13-9)6-14(12)5-7-3-11-4-7/h1-2,7,11H,3-6H2
InChIKeyJAHPKKYMERABEO-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(5-chlorothiophen-2-yl)methylsulfinylmethyl]azetidine 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

3-[(5-bromothiophen-2-yl)methylsulfinylmethyl]azetidine
CID 81198066
3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine
CID 81196456
1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583465
2-chloro-5-(naphthalen-1-ylmethylsulfinylmethyl)thiophene
CID 75414313
2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572587
3-[(2-nitrophenyl)methylsulfinylmethyl]azetidine
CID 81197195
3-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120948373
4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine
CID 83487153
4-[(5-chlorothiophen-2-yl)methylsulfinyl]-N,N-dimethylbutanamide
CID 75426507
2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 116678035
2-(azetidin-3-ylmethylsulfinylmethyl)-4-fluorobenzonitrile
CID 114014880
2-acetamido-3-[(5-chlorothiophen-2-yl)methylsulfinyl]propanoic acid
CID 107768751

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methylsulfinylmethyl]azetidine?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methylsulfinylmethyl]azetidine (CID 81198204) is 3-[(5-chlorothiophen-2-yl)methylsulfinylmethyl]azetidine.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methylsulfinylmethyl]azetidine?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methylsulfinylmethyl]azetidine is O=S(Cc1ccc(Cl)s1)CC1CNC1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methylsulfinylmethyl]azetidine?
The InChIKey is JAHPKKYMERABEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS2/c10-9-2-1-8(13-9)6-14(12)5-7-3-11-4-7/h1-2,7,11H,3-6H2.
What are the key properties of 3-[(5-chlorothiophen-2-yl)methylsulfinylmethyl]azetidine?
3-[(5-chlorothiophen-2-yl)methylsulfinylmethyl]azetidine has a molecular weight of 249.79 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methylsulfinylmethyl]azetidine is sourced from PubChem (CID 81198204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).