3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine

C12H17NOS — CID 117032983

IUPAC3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine
SMILESCOc1cc(C)c(SC2CNC2)cc1C
InChIInChI=1S/C12H17NOS/c1-8-5-12(15-10-6-13-7-10)9(2)4-11(8)14-3/h4-5,10,13H,6-7H2,1-3H3
InChIKeyKNFXKIZAJBWYCK-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.38
Rot. Bonds3

About 3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine

3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine (PubChem CID 117032983) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine.

Molecular Properties

Compound Name3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine
PubChem CID117032983
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine
SMILESCOc1cc(C)c(SC2CNC2)cc1C
InChIInChI=1S/C12H17NOS/c1-8-5-12(15-10-6-13-7-10)9(2)4-11(8)14-3/h4-5,10,13H,6-7H2,1-3H3
InChIKeyKNFXKIZAJBWYCK-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxy-2,5-dimethylphenyl)sulfanylcyclohexan-1-ol
CID 117034473
2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine
CID 117034189
1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene
CID 117035950
3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine
CID 82286623
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
1-(azetidin-3-yl)-1-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylmethanamine
CID 116906242
azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116583756
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine
CID 82083204
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine
CID 117040677
N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115207406
azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 116935348

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine?
The IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine (CID 117032983) is 3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine.
What is the SMILES notation for 3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine?
The canonical SMILES for 3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine is COc1cc(C)c(SC2CNC2)cc1C.
What is the InChIKey of 3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine?
The InChIKey is KNFXKIZAJBWYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-8-5-12(15-10-6-13-7-10)9(2)4-11(8)14-3/h4-5,10,13H,6-7H2,1-3H3.
What are the key properties of 3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine?
3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine has a molecular weight of 223.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine is sourced from PubChem (CID 117032983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).