4-[3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propyl]morpholine

C13H23NOS — CID 170871146

IUPAC4-[3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propyl]morpholine
SMILESCC1=CC(CCCN2CCOCC2)C(C)S1
InChIInChI=1S/C13H23NOS/c1-11-10-13(12(2)16-11)4-3-5-14-6-8-15-9-7-14/h10,12-13H,3-9H2,1-2H3
InChIKeyUVQXCHVTYCEGOT-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.75
Rot. Bonds4

About 4-[3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propyl]morpholine

4-[3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propyl]morpholine (PubChem CID 170871146) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 4-[3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propyl]morpholine
PubChem CID170871146
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name4-[3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propyl]morpholine
SMILESCC1=CC(CCCN2CCOCC2)C(C)S1
InChIInChI=1S/C13H23NOS/c1-11-10-13(12(2)16-11)4-3-5-14-6-8-15-9-7-14/h10,12-13H,3-9H2,1-2H3
InChIKeyUVQXCHVTYCEGOT-UHFFFAOYSA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propyl]morpholine?
The IUPAC name of 4-[3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propyl]morpholine (CID 170871146) is 4-[3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propyl]morpholine is CC1=CC(CCCN2CCOCC2)C(C)S1.
What is the InChIKey of 4-[3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propyl]morpholine?
The InChIKey is UVQXCHVTYCEGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-11-10-13(12(2)16-11)4-3-5-14-6-8-15-9-7-14/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 4-[3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propyl]morpholine?
4-[3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propyl]morpholine has a molecular weight of 241.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propyl]morpholine is sourced from PubChem (CID 170871146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).