(3-cyclopropyl-3-methylmorpholin-4-yl)-(5-methylsulfonylthiophen-2-yl)methanone

C14H19NO4S2 — CID 138022165

IUPAC(3-cyclopropyl-3-methylmorpholin-4-yl)-(5-methylsulfonylthiophen-2-yl)methanone
SMILESCC1(C2CC2)COCCN1C(=O)c1ccc(S(C)(=O)=O)s1
InChIInChI=1S/C14H19NO4S2/c1-14(10-3-4-10)9-19-8-7-15(14)13(16)11-5-6-12(20-11)21(2,17)18/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyDXKPTYBICIQMBT-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.79
Rot. Bonds3

About (3-cyclopropyl-3-methylmorpholin-4-yl)-(5-methylsulfonylthiophen-2-yl)methanone

(3-cyclopropyl-3-methylmorpholin-4-yl)-(5-methylsulfonylthiophen-2-yl)methanone (PubChem CID 138022165) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (3-cyclopropyl-3-methylmorpholin-4-yl)-(5-methylsulfonylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-cyclopropyl-3-methylmorpholin-4-yl)-(5-methylsulfonylthiophen-2-yl)methanone
PubChem CID138022165
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC Name(3-cyclopropyl-3-methylmorpholin-4-yl)-(5-methylsulfonylthiophen-2-yl)methanone
SMILESCC1(C2CC2)COCCN1C(=O)c1ccc(S(C)(=O)=O)s1
InChIInChI=1S/C14H19NO4S2/c1-14(10-3-4-10)9-19-8-7-15(14)13(16)11-5-6-12(20-11)21(2,17)18/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyDXKPTYBICIQMBT-UHFFFAOYSA-N
XLogP1.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-cyclopropyl-3-methylmorpholin-4-yl)-(5-methylsulfonylthiophen-2-yl)methanone 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 (3-cyclopropyl-3-methylmorpholin-4-yl)-(5-methylsulfonylthiophen-2-yl)methanone?
The IUPAC name of (3-cyclopropyl-3-methylmorpholin-4-yl)-(5-methylsulfonylthiophen-2-yl)methanone (CID 138022165) is (3-cyclopropyl-3-methylmorpholin-4-yl)-(5-methylsulfonylthiophen-2-yl)methanone.
What is the SMILES notation for (3-cyclopropyl-3-methylmorpholin-4-yl)-(5-methylsulfonylthiophen-2-yl)methanone?
The canonical SMILES for (3-cyclopropyl-3-methylmorpholin-4-yl)-(5-methylsulfonylthiophen-2-yl)methanone is CC1(C2CC2)COCCN1C(=O)c1ccc(S(C)(=O)=O)s1.
What is the InChIKey of (3-cyclopropyl-3-methylmorpholin-4-yl)-(5-methylsulfonylthiophen-2-yl)methanone?
The InChIKey is DXKPTYBICIQMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S2/c1-14(10-3-4-10)9-19-8-7-15(14)13(16)11-5-6-12(20-11)21(2,17)18/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of (3-cyclopropyl-3-methylmorpholin-4-yl)-(5-methylsulfonylthiophen-2-yl)methanone?
(3-cyclopropyl-3-methylmorpholin-4-yl)-(5-methylsulfonylthiophen-2-yl)methanone has a molecular weight of 329.44 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-3-methylmorpholin-4-yl)-(5-methylsulfonylthiophen-2-yl)methanone is sourced from PubChem (CID 138022165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).