3-(3-methylphenyl)-3-(2-phenylsulfanylethyl)azetidine

C18H21NS — CID 79459975

IUPAC3-(3-methylphenyl)-3-(2-phenylsulfanylethyl)azetidine
SMILESCc1cccc(C2(CCSc3ccccc3)CNC2)c1
InChIInChI=1S/C18H21NS/c1-15-6-5-7-16(12-15)18(13-19-14-18)10-11-20-17-8-3-2-4-9-17/h2-9,12,19H,10-11,13-14H2,1H3
InChIKeyROWCWHAVYUJCES-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.02
Rot. Bonds5

About 3-(3-methylphenyl)-3-(2-phenylsulfanylethyl)azetidine

3-(3-methylphenyl)-3-(2-phenylsulfanylethyl)azetidine (PubChem CID 79459975) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-(3-methylphenyl)-3-(2-phenylsulfanylethyl)azetidine.

Molecular Properties

Compound Name3-(3-methylphenyl)-3-(2-phenylsulfanylethyl)azetidine
PubChem CID79459975
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name3-(3-methylphenyl)-3-(2-phenylsulfanylethyl)azetidine
SMILESCc1cccc(C2(CCSc3ccccc3)CNC2)c1
InChIInChI=1S/C18H21NS/c1-15-6-5-7-16(12-15)18(13-19-14-18)10-11-20-17-8-3-2-4-9-17/h2-9,12,19H,10-11,13-14H2,1H3
InChIKeyROWCWHAVYUJCES-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-(2-phenylsulfanylethylsulfanyl)benzene
CID 79327094
3-(2-fluorophenyl)-3-(2-phenylsulfanylethyl)azetidine
CID 79459919
3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79459973
3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine
CID 79459804
[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193
5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
CID 112645466
3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine
CID 79460298
3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79460878
3-chloro-4-[[3-(3-methylphenyl)azetidin-3-yl]methyl]pyridine
CID 79460270
3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine
CID 79452069
(5S)-5-(3-methylphenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole
CID 164668254
3-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine
CID 106459870

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-3-(2-phenylsulfanylethyl)azetidine?
The IUPAC name of 3-(3-methylphenyl)-3-(2-phenylsulfanylethyl)azetidine (CID 79459975) is 3-(3-methylphenyl)-3-(2-phenylsulfanylethyl)azetidine.
What is the SMILES notation for 3-(3-methylphenyl)-3-(2-phenylsulfanylethyl)azetidine?
The canonical SMILES for 3-(3-methylphenyl)-3-(2-phenylsulfanylethyl)azetidine is Cc1cccc(C2(CCSc3ccccc3)CNC2)c1.
What is the InChIKey of 3-(3-methylphenyl)-3-(2-phenylsulfanylethyl)azetidine?
The InChIKey is ROWCWHAVYUJCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-15-6-5-7-16(12-15)18(13-19-14-18)10-11-20-17-8-3-2-4-9-17/h2-9,12,19H,10-11,13-14H2,1H3.
What are the key properties of 3-(3-methylphenyl)-3-(2-phenylsulfanylethyl)azetidine?
3-(3-methylphenyl)-3-(2-phenylsulfanylethyl)azetidine has a molecular weight of 283.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-3-(2-phenylsulfanylethyl)azetidine is sourced from PubChem (CID 79459975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).