3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine

C11H13Cl2NOS — CID 81196456

IUPAC3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine
SMILESO=S(Cc1ccc(Cl)cc1Cl)CC1CNC1
InChIInChI=1S/C11H13Cl2NOS/c12-10-2-1-9(11(13)3-10)7-16(15)6-8-4-14-5-8/h1-3,8,14H,4-7H2
InChIKeyJFMZAEWORGGDMR-UHFFFAOYSA-N
MW278.20 g/mol
LogP2.46
Rot. Bonds4

About 3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine

3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine (PubChem CID 81196456) has the molecular formula C11H13Cl2NOS and a molecular weight of 278.20 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine
PubChem CID81196456
Molecular FormulaC11H13Cl2NOS
Molecular Weight278.20 g/mol
Exact Mass277.01
IUPAC Name3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine
SMILESO=S(Cc1ccc(Cl)cc1Cl)CC1CNC1
InChIInChI=1S/C11H13Cl2NOS/c12-10-2-1-9(11(13)3-10)7-16(15)6-8-4-14-5-8/h1-3,8,14H,4-7H2
InChIKeyJFMZAEWORGGDMR-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chloro-4-nitrophenyl)methylsulfinylmethyl]azetidine
CID 81196282
3-[(3-chloro-4-fluorophenyl)methylsulfinylmethyl]azetidine
CID 103042423
3-[(4-chloro-3-fluorophenyl)methylsulfinylmethyl]azetidine
CID 107889691
4-bromo-2-chloro-1-(cyclopropylmethylsulfinylmethyl)benzene
CID 75427491
2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid
CID 60982109
N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide
CID 39991988
2-(azetidin-3-ylmethylsulfinylmethyl)-4-fluorobenzonitrile
CID 114014880
4-[(2,4-dichlorophenyl)methylsulfinylmethyl]benzoic acid
CID 123106904
5-[(2,4-dichlorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60917507
2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459765
3-[(5-bromothiophen-2-yl)methylsulfinylmethyl]azetidine
CID 81198066
3-(azetidin-3-ylmethylsulfinylmethyl)benzamide
CID 81197896

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine?
The IUPAC name of 3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine (CID 81196456) is 3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine is O=S(Cc1ccc(Cl)cc1Cl)CC1CNC1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine?
The InChIKey is JFMZAEWORGGDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NOS/c12-10-2-1-9(11(13)3-10)7-16(15)6-8-4-14-5-8/h1-3,8,14H,4-7H2.
What are the key properties of 3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine?
3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine has a molecular weight of 278.20 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine is sourced from PubChem (CID 81196456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).