3-(4-propan-2-yloxyphenyl)sulfanylazetidine

C12H17NOS — CID 117032992

IUPAC3-(4-propan-2-yloxyphenyl)sulfanylazetidine
SMILESCC(C)Oc1ccc(SC2CNC2)cc1
InChIInChI=1S/C12H17NOS/c1-9(2)14-10-3-5-11(6-4-10)15-12-7-13-8-12/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyARKRIPMHVCROQN-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.54
Rot. Bonds4

About 3-(4-propan-2-yloxyphenyl)sulfanylazetidine

3-(4-propan-2-yloxyphenyl)sulfanylazetidine (PubChem CID 117032992) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-(4-propan-2-yloxyphenyl)sulfanylazetidine.

Molecular Properties

Compound Name3-(4-propan-2-yloxyphenyl)sulfanylazetidine
PubChem CID117032992
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name3-(4-propan-2-yloxyphenyl)sulfanylazetidine
SMILESCC(C)Oc1ccc(SC2CNC2)cc1
InChIInChI=1S/C12H17NOS/c1-9(2)14-10-3-5-11(6-4-10)15-12-7-13-8-12/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyARKRIPMHVCROQN-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)sulfanylazetidine
CID 62786123
2-(4-propan-2-yloxyphenyl)sulfanylmorpholine
CID 117034199
3-(4-propan-2-yloxyphenoxy)azetidine
CID 138962087
S-(4-propan-2-yloxyphenyl)thiohydroxylamine
CID 117033766
3-(1-phenoxyethyl)azetidine
CID 105437140
(2R)-2-(4-propan-2-yloxyphenyl)piperazine
CID 95443937
4-(4-propan-2-yloxyphenoxy)piperidine
CID 89453291
1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene
CID 137385958
4-(4-propan-2-yloxyphenyl)sulfanylphenol
CID 134238936
1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile
CID 117034789
trichloro-(4-propan-2-yloxyphenyl)silane
CID 69462595
2-(4-propan-2-yloxyphenyl)sulfanylethanethiol
CID 117033741

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yloxyphenyl)sulfanylazetidine?
The IUPAC name of 3-(4-propan-2-yloxyphenyl)sulfanylazetidine (CID 117032992) is 3-(4-propan-2-yloxyphenyl)sulfanylazetidine.
What is the SMILES notation for 3-(4-propan-2-yloxyphenyl)sulfanylazetidine?
The canonical SMILES for 3-(4-propan-2-yloxyphenyl)sulfanylazetidine is CC(C)Oc1ccc(SC2CNC2)cc1.
What is the InChIKey of 3-(4-propan-2-yloxyphenyl)sulfanylazetidine?
The InChIKey is ARKRIPMHVCROQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9(2)14-10-3-5-11(6-4-10)15-12-7-13-8-12/h3-6,9,12-13H,7-8H2,1-2H3.
What are the key properties of 3-(4-propan-2-yloxyphenyl)sulfanylazetidine?
3-(4-propan-2-yloxyphenyl)sulfanylazetidine has a molecular weight of 223.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yloxyphenyl)sulfanylazetidine is sourced from PubChem (CID 117032992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).