1-[(2-methylsulfanylphenyl)methyl]azetidine

C11H15NS — CID 131107256

IUPAC1-[(2-methylsulfanylphenyl)methyl]azetidine
SMILESCSc1ccccc1CN1CCC1
InChIInChI=1S/C11H15NS/c1-13-11-6-3-2-5-10(11)9-12-7-4-8-12/h2-3,5-6H,4,7-9H2,1H3
InChIKeyYDJPIHDFQWEXMN-UHFFFAOYSA-N
MW193.32 g/mol
LogP2.61
Rot. Bonds3

About 1-[(2-methylsulfanylphenyl)methyl]azetidine

1-[(2-methylsulfanylphenyl)methyl]azetidine (PubChem CID 131107256) has the molecular formula C11H15NS and a molecular weight of 193.32 g/mol. Its IUPAC name is 1-[(2-methylsulfanylphenyl)methyl]azetidine.

Molecular Properties

Compound Name1-[(2-methylsulfanylphenyl)methyl]azetidine
PubChem CID131107256
Molecular FormulaC11H15NS
Molecular Weight193.32 g/mol
Exact Mass193.09
IUPAC Name1-[(2-methylsulfanylphenyl)methyl]azetidine
SMILESCSc1ccccc1CN1CCC1
InChIInChI=1S/C11H15NS/c1-13-11-6-3-2-5-10(11)9-12-7-4-8-12/h2-3,5-6H,4,7-9H2,1H3
InChIKeyYDJPIHDFQWEXMN-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
CID 24725303
1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 66899395
(3aR,5S,6S,7aS)-2-[(2-methylsulfanylphenyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 77091091
1-[[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 70773529
1-methyl-4-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]ethyl]piperazine
CID 70779398
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979
[2-[2-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methanol
CID 12700538
[2-(azetidin-1-ylmethyl)phenyl]boronic acid
CID 175402198
2-(pyrrolidin-1-ylmethyl)benzenethiol
CID 46785608
(3R)-8-[(2-methylsulfanylphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97190791
1-[[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]-3-(oxolan-2-ylmethyl)urea
CID 91812798
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylsulfanylphenyl)methyl]azetidine?
The IUPAC name of 1-[(2-methylsulfanylphenyl)methyl]azetidine (CID 131107256) is 1-[(2-methylsulfanylphenyl)methyl]azetidine.
What is the SMILES notation for 1-[(2-methylsulfanylphenyl)methyl]azetidine?
The canonical SMILES for 1-[(2-methylsulfanylphenyl)methyl]azetidine is CSc1ccccc1CN1CCC1.
What is the InChIKey of 1-[(2-methylsulfanylphenyl)methyl]azetidine?
The InChIKey is YDJPIHDFQWEXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-13-11-6-3-2-5-10(11)9-12-7-4-8-12/h2-3,5-6H,4,7-9H2,1H3.
What are the key properties of 1-[(2-methylsulfanylphenyl)methyl]azetidine?
1-[(2-methylsulfanylphenyl)methyl]azetidine has a molecular weight of 193.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylsulfanylphenyl)methyl]azetidine is sourced from PubChem (CID 131107256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).