2-(4-propoxyphenyl)thiomorpholine

C13H19NOS — CID 46233267

IUPAC2-(4-propoxyphenyl)thiomorpholine
SMILESCCCOc1ccc(C2CNCCS2)cc1
InChIInChI=1S/C13H19NOS/c1-2-8-15-12-5-3-11(4-6-12)13-10-14-7-9-16-13/h3-6,13-14H,2,7-10H2,1H3
InChIKeyMHUSNQPPWZGBBB-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.85
Rot. Bonds4

About 2-(4-propoxyphenyl)thiomorpholine

2-(4-propoxyphenyl)thiomorpholine (PubChem CID 46233267) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(4-propoxyphenyl)thiomorpholine.

Molecular Properties

Compound Name2-(4-propoxyphenyl)thiomorpholine
PubChem CID46233267
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-(4-propoxyphenyl)thiomorpholine
SMILESCCCOc1ccc(C2CNCCS2)cc1
InChIInChI=1S/C13H19NOS/c1-2-8-15-12-5-3-11(4-6-12)13-10-14-7-9-16-13/h3-6,13-14H,2,7-10H2,1H3
InChIKeyMHUSNQPPWZGBBB-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenyl)thiomorpholine?
The IUPAC name of 2-(4-propoxyphenyl)thiomorpholine (CID 46233267) is 2-(4-propoxyphenyl)thiomorpholine.
What is the SMILES notation for 2-(4-propoxyphenyl)thiomorpholine?
The canonical SMILES for 2-(4-propoxyphenyl)thiomorpholine is CCCOc1ccc(C2CNCCS2)cc1.
What is the InChIKey of 2-(4-propoxyphenyl)thiomorpholine?
The InChIKey is MHUSNQPPWZGBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-2-8-15-12-5-3-11(4-6-12)13-10-14-7-9-16-13/h3-6,13-14H,2,7-10H2,1H3.
What are the key properties of 2-(4-propoxyphenyl)thiomorpholine?
2-(4-propoxyphenyl)thiomorpholine has a molecular weight of 237.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenyl)thiomorpholine is sourced from PubChem (CID 46233267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).