(4-ethyl-1-methylsulfonylpiperazin-2-yl)-morpholin-4-ylmethanone

C12H23N3O4S — CID 24733176

IUPAC(4-ethyl-1-methylsulfonylpiperazin-2-yl)-morpholin-4-ylmethanone
SMILESCCN1CCN(S(C)(=O)=O)C(C(=O)N2CCOCC2)C1
InChIInChI=1S/C12H23N3O4S/c1-3-13-4-5-15(20(2,17)18)11(10-13)12(16)14-6-8-19-9-7-14/h11H,3-10H2,1-2H3
InChIKeyRQGFMRYMFKASMN-UHFFFAOYSA-N
MW305.40 g/mol
LogP-1.19
Rot. Bonds3

About (4-ethyl-1-methylsulfonylpiperazin-2-yl)-morpholin-4-ylmethanone

(4-ethyl-1-methylsulfonylpiperazin-2-yl)-morpholin-4-ylmethanone (PubChem CID 24733176) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is (4-ethyl-1-methylsulfonylpiperazin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-ethyl-1-methylsulfonylpiperazin-2-yl)-morpholin-4-ylmethanone
PubChem CID24733176
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name(4-ethyl-1-methylsulfonylpiperazin-2-yl)-morpholin-4-ylmethanone
SMILESCCN1CCN(S(C)(=O)=O)C(C(=O)N2CCOCC2)C1
InChIInChI=1S/C12H23N3O4S/c1-3-13-4-5-15(20(2,17)18)11(10-13)12(16)14-6-8-19-9-7-14/h11H,3-10H2,1-2H3
InChIKeyRQGFMRYMFKASMN-UHFFFAOYSA-N
XLogP-1.19
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-1.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-ethyl-1-methylsulfonylpiperazin-2-yl)-morpholin-4-ylmethanone 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-ethyl-1-methylsulfonylpiperazin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-ethyl-1-methylsulfonylpiperazin-2-yl)-morpholin-4-ylmethanone (CID 24733176) is (4-ethyl-1-methylsulfonylpiperazin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-ethyl-1-methylsulfonylpiperazin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-ethyl-1-methylsulfonylpiperazin-2-yl)-morpholin-4-ylmethanone is CCN1CCN(S(C)(=O)=O)C(C(=O)N2CCOCC2)C1.
What is the InChIKey of (4-ethyl-1-methylsulfonylpiperazin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is RQGFMRYMFKASMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-3-13-4-5-15(20(2,17)18)11(10-13)12(16)14-6-8-19-9-7-14/h11H,3-10H2,1-2H3.
What are the key properties of (4-ethyl-1-methylsulfonylpiperazin-2-yl)-morpholin-4-ylmethanone?
(4-ethyl-1-methylsulfonylpiperazin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 305.40 g/mol, XLogP of -1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-1-methylsulfonylpiperazin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 24733176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).