4-(2-propylsulfonylethyl)-2-thiophen-3-ylmorpholine

C13H21NO3S2 — CID 71920151

IUPAC4-(2-propylsulfonylethyl)-2-thiophen-3-ylmorpholine
SMILESCCCS(=O)(=O)CCN1CCOC(c2ccsc2)C1
InChIInChI=1S/C13H21NO3S2/c1-2-8-19(15,16)9-5-14-4-6-17-13(10-14)12-3-7-18-11-12/h3,7,11,13H,2,4-6,8-10H2,1H3
InChIKeyIMFWZXQXORJNIJ-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.95
Rot. Bonds6

About 4-(2-propylsulfonylethyl)-2-thiophen-3-ylmorpholine

4-(2-propylsulfonylethyl)-2-thiophen-3-ylmorpholine (PubChem CID 71920151) has the molecular formula C13H21NO3S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-(2-propylsulfonylethyl)-2-thiophen-3-ylmorpholine.

Molecular Properties

Compound Name4-(2-propylsulfonylethyl)-2-thiophen-3-ylmorpholine
PubChem CID71920151
Molecular FormulaC13H21NO3S2
Molecular Weight303.45 g/mol
Exact Mass303.10
IUPAC Name4-(2-propylsulfonylethyl)-2-thiophen-3-ylmorpholine
SMILESCCCS(=O)(=O)CCN1CCOC(c2ccsc2)C1
InChIInChI=1S/C13H21NO3S2/c1-2-8-19(15,16)9-5-14-4-6-17-13(10-14)12-3-7-18-11-12/h3,7,11,13H,2,4-6,8-10H2,1H3
InChIKeyIMFWZXQXORJNIJ-UHFFFAOYSA-N
XLogP1.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2-propylsulfonylethyl)-2-thiophen-3-ylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-propylsulfonylethyl)-2-thiophen-3-ylmorpholine?
The IUPAC name of 4-(2-propylsulfonylethyl)-2-thiophen-3-ylmorpholine (CID 71920151) is 4-(2-propylsulfonylethyl)-2-thiophen-3-ylmorpholine.
What is the SMILES notation for 4-(2-propylsulfonylethyl)-2-thiophen-3-ylmorpholine?
The canonical SMILES for 4-(2-propylsulfonylethyl)-2-thiophen-3-ylmorpholine is CCCS(=O)(=O)CCN1CCOC(c2ccsc2)C1.
What is the InChIKey of 4-(2-propylsulfonylethyl)-2-thiophen-3-ylmorpholine?
The InChIKey is IMFWZXQXORJNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S2/c1-2-8-19(15,16)9-5-14-4-6-17-13(10-14)12-3-7-18-11-12/h3,7,11,13H,2,4-6,8-10H2,1H3.
What are the key properties of 4-(2-propylsulfonylethyl)-2-thiophen-3-ylmorpholine?
4-(2-propylsulfonylethyl)-2-thiophen-3-ylmorpholine has a molecular weight of 303.45 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propylsulfonylethyl)-2-thiophen-3-ylmorpholine is sourced from PubChem (CID 71920151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).