4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-2-one

C10H19N3O4S — CID 42936453

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-2-one
SMILESCC1CN(S(=O)(=O)N2CCNC(=O)C2)CC(C)O1
InChIInChI=1S/C10H19N3O4S/c1-8-5-13(6-9(2)17-8)18(15,16)12-4-3-11-10(14)7-12/h8-9H,3-7H2,1-2H3,(H,11,14)
InChIKeyOAHKKMQFEQNOHC-UHFFFAOYSA-N
MW277.35 g/mol
LogP-1.23
Rot. Bonds2

About 4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-2-one

4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-2-one (PubChem CID 42936453) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-2-one
PubChem CID42936453
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-2-one
SMILESCC1CN(S(=O)(=O)N2CCNC(=O)C2)CC(C)O1
InChIInChI=1S/C10H19N3O4S/c1-8-5-13(6-9(2)17-8)18(15,16)12-4-3-11-10(14)7-12/h8-9H,3-7H2,1-2H3,(H,11,14)
InChIKeyOAHKKMQFEQNOHC-UHFFFAOYSA-N
XLogP-1.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-2-one (CID 42936453) is 4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-2-one is CC1CN(S(=O)(=O)N2CCNC(=O)C2)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-2-one?
The InChIKey is OAHKKMQFEQNOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-8-5-13(6-9(2)17-8)18(15,16)12-4-3-11-10(14)7-12/h8-9H,3-7H2,1-2H3,(H,11,14).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-2-one?
4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-2-one has a molecular weight of 277.35 g/mol, XLogP of -1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-2-one is sourced from PubChem (CID 42936453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).