2-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1-morpholin-4-ylethanone

C16H24N2O4S2 — CID 53068000

IUPAC2-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1-morpholin-4-ylethanone
SMILESCC1CCN(S(=O)(=O)c2ccc(CC(=O)N3CCOCC3)s2)CC1
InChIInChI=1S/C16H24N2O4S2/c1-13-4-6-18(7-5-13)24(20,21)16-3-2-14(23-16)12-15(19)17-8-10-22-11-9-17/h2-3,13H,4-12H2,1H3
InChIKeyUUYYTZKJOUYFAH-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.57
Rot. Bonds4

About 2-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1-morpholin-4-ylethanone

2-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1-morpholin-4-ylethanone (PubChem CID 53068000) has the molecular formula C16H24N2O4S2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1-morpholin-4-ylethanone
PubChem CID53068000
Molecular FormulaC16H24N2O4S2
Molecular Weight372.51 g/mol
Exact Mass372.12
IUPAC Name2-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1-morpholin-4-ylethanone
SMILESCC1CCN(S(=O)(=O)c2ccc(CC(=O)N3CCOCC3)s2)CC1
InChIInChI=1S/C16H24N2O4S2/c1-13-4-6-18(7-5-13)24(20,21)16-3-2-14(23-16)12-15(19)17-8-10-22-11-9-17/h2-3,13H,4-12H2,1H3
InChIKeyUUYYTZKJOUYFAH-UHFFFAOYSA-N
XLogP1.57
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1-morpholin-4-ylethanone 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 2-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1-morpholin-4-ylethanone (CID 53068000) is 2-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1-morpholin-4-ylethanone is CC1CCN(S(=O)(=O)c2ccc(CC(=O)N3CCOCC3)s2)CC1.
What is the InChIKey of 2-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1-morpholin-4-ylethanone?
The InChIKey is UUYYTZKJOUYFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S2/c1-13-4-6-18(7-5-13)24(20,21)16-3-2-14(23-16)12-15(19)17-8-10-22-11-9-17/h2-3,13H,4-12H2,1H3.
What are the key properties of 2-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1-morpholin-4-ylethanone?
2-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1-morpholin-4-ylethanone has a molecular weight of 372.51 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 53068000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).