2-[(3-methylphenyl)methylsulfanylmethyl]azetidine

C12H17NS — CID 115070956

IUPAC2-[(3-methylphenyl)methylsulfanylmethyl]azetidine
SMILESCc1cccc(CSCC2CCN2)c1
InChIInChI=1S/C12H17NS/c1-10-3-2-4-11(7-10)8-14-9-12-5-6-13-12/h2-4,7,12-13H,5-6,8-9H2,1H3
InChIKeyUGBHYZZTRASNKD-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.59
Rot. Bonds4

About 2-[(3-methylphenyl)methylsulfanylmethyl]azetidine

2-[(3-methylphenyl)methylsulfanylmethyl]azetidine (PubChem CID 115070956) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methylsulfanylmethyl]azetidine.

Molecular Properties

Compound Name2-[(3-methylphenyl)methylsulfanylmethyl]azetidine
PubChem CID115070956
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name2-[(3-methylphenyl)methylsulfanylmethyl]azetidine
SMILESCc1cccc(CSCC2CCN2)c1
InChIInChI=1S/C12H17NS/c1-10-3-2-4-11(7-10)8-14-9-12-5-6-13-12/h2-4,7,12-13H,5-6,8-9H2,1H3
InChIKeyUGBHYZZTRASNKD-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 102820351
2-[(3-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62766072
2-[(4-methylphenyl)methylsulfanylmethyl]azetidine
CID 115070984
2-(benzylsulfanylmethyl)azetidine
CID 115070954
2-[(3-chlorophenyl)methylsulfanylmethyl]pyrrolidine
CID 115071001
2-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]pyrrolidine
CID 115070999
3-[(3-methylphenyl)methylsulfanyl]piperidine
CID 62766415
2-[(3-methylphenyl)methyl]pyrrolidin-3-ol
CID 83829836
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine
CID 55112789
trifluoro-[(3-methylphenyl)methylsulfanylmethyl]boranuide
CID 63703401
1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol
CID 103160784
2-[2-(3-methylphenyl)ethyl]azepane
CID 62544067

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methylsulfanylmethyl]azetidine?
The IUPAC name of 2-[(3-methylphenyl)methylsulfanylmethyl]azetidine (CID 115070956) is 2-[(3-methylphenyl)methylsulfanylmethyl]azetidine.
What is the SMILES notation for 2-[(3-methylphenyl)methylsulfanylmethyl]azetidine?
The canonical SMILES for 2-[(3-methylphenyl)methylsulfanylmethyl]azetidine is Cc1cccc(CSCC2CCN2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methylsulfanylmethyl]azetidine?
The InChIKey is UGBHYZZTRASNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-10-3-2-4-11(7-10)8-14-9-12-5-6-13-12/h2-4,7,12-13H,5-6,8-9H2,1H3.
What are the key properties of 2-[(3-methylphenyl)methylsulfanylmethyl]azetidine?
2-[(3-methylphenyl)methylsulfanylmethyl]azetidine has a molecular weight of 207.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methylsulfanylmethyl]azetidine is sourced from PubChem (CID 115070956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).