3-(4-methoxyphenyl)sulfanylazetidine

C10H13NOS — CID 62786123

IUPAC3-(4-methoxyphenyl)sulfanylazetidine
SMILESCOc1ccc(SC2CNC2)cc1
InChIInChI=1S/C10H13NOS/c1-12-8-2-4-9(5-3-8)13-10-6-11-7-10/h2-5,10-11H,6-7H2,1H3
InChIKeyRSQYWVHYJBWZTG-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.76
Rot. Bonds3

About 3-(4-methoxyphenyl)sulfanylazetidine

3-(4-methoxyphenyl)sulfanylazetidine (PubChem CID 62786123) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfanylazetidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfanylazetidine
PubChem CID62786123
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name3-(4-methoxyphenyl)sulfanylazetidine
SMILESCOc1ccc(SC2CNC2)cc1
InChIInChI=1S/C10H13NOS/c1-12-8-2-4-9(5-3-8)13-10-6-11-7-10/h2-5,10-11H,6-7H2,1H3
InChIKeyRSQYWVHYJBWZTG-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-propan-2-yloxyphenyl)sulfanylazetidine
CID 117032992
1-cyclohexylsulfanyl-4-methoxybenzene
CID 13011159
3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine
CID 117033267
N-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 170567610
2-(4-methoxyphenyl)sulfanylcyclopropane-1-carboxylic acid
CID 117033541
3-[(4-methoxyphenyl)methyl]azetidine
CID 16780470
(4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine
CID 58606780
3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79654085
3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile
CID 79649672
1-[(1S)-cyclohex-2-en-1-yl]sulfanyl-4-methoxybenzene
CID 138984037
3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine
CID 66289089
[2-(4-methoxyphenyl)sulfanylcyclopentyl]methanamine
CID 43530473

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfanylazetidine?
The IUPAC name of 3-(4-methoxyphenyl)sulfanylazetidine (CID 62786123) is 3-(4-methoxyphenyl)sulfanylazetidine.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfanylazetidine?
The canonical SMILES for 3-(4-methoxyphenyl)sulfanylazetidine is COc1ccc(SC2CNC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfanylazetidine?
The InChIKey is RSQYWVHYJBWZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-12-8-2-4-9(5-3-8)13-10-6-11-7-10/h2-5,10-11H,6-7H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)sulfanylazetidine?
3-(4-methoxyphenyl)sulfanylazetidine has a molecular weight of 195.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfanylazetidine is sourced from PubChem (CID 62786123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).