3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine

C11H15NOS — CID 117033267

IUPAC3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine
SMILESCOc1ccc(SC2CC(N)C2)cc1
InChIInChI=1S/C11H15NOS/c1-13-9-2-4-10(5-3-9)14-11-6-8(12)7-11/h2-5,8,11H,6-7,12H2,1H3
InChIKeyAQTCUVWTAPOASO-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.28
Rot. Bonds3

About 3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine

3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine (PubChem CID 117033267) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine
PubChem CID117033267
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine
SMILESCOc1ccc(SC2CC(N)C2)cc1
InChIInChI=1S/C11H15NOS/c1-13-9-2-4-10(5-3-9)14-11-6-8(12)7-11/h2-5,8,11H,6-7,12H2,1H3
InChIKeyAQTCUVWTAPOASO-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine (CID 117033267) is 3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine is COc1ccc(SC2CC(N)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine?
The InChIKey is AQTCUVWTAPOASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-13-9-2-4-10(5-3-9)14-11-6-8(12)7-11/h2-5,8,11H,6-7,12H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine?
3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine is sourced from PubChem (CID 117033267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).