3-methyl-4-morpholin-4-ylsulfonylpiperazin-2-one

C9H17N3O4S — CID 55218367

IUPAC3-methyl-4-morpholin-4-ylsulfonylpiperazin-2-one
SMILESCC1C(=O)NCCN1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H17N3O4S/c1-8-9(13)10-2-3-12(8)17(14,15)11-4-6-16-7-5-11/h8H,2-7H2,1H3,(H,10,13)
InChIKeyVXUOTQIVZFJLHK-UHFFFAOYSA-N
MW263.32 g/mol
LogP-1.62
Rot. Bonds2

About 3-methyl-4-morpholin-4-ylsulfonylpiperazin-2-one

3-methyl-4-morpholin-4-ylsulfonylpiperazin-2-one (PubChem CID 55218367) has the molecular formula C9H17N3O4S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-methyl-4-morpholin-4-ylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-morpholin-4-ylsulfonylpiperazin-2-one
PubChem CID55218367
Molecular FormulaC9H17N3O4S
Molecular Weight263.32 g/mol
Exact Mass263.09
IUPAC Name3-methyl-4-morpholin-4-ylsulfonylpiperazin-2-one
SMILESCC1C(=O)NCCN1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H17N3O4S/c1-8-9(13)10-2-3-12(8)17(14,15)11-4-6-16-7-5-11/h8H,2-7H2,1H3,(H,10,13)
InChIKeyVXUOTQIVZFJLHK-UHFFFAOYSA-N
XLogP-1.62
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpiperazin-1-yl)sulfonylmorpholine
CID 62674194
N-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide
CID 115638450
4-(4-morpholin-4-ylsulfonylphenyl)sulfonyl-3-propan-2-ylpiperazin-2-one
CID 56541664
3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one
CID 63602552
2-(2-methyl-3-oxopiperazin-1-yl)sulfonylacetonitrile
CID 63606088
3-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-one
CID 104710168
3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one
CID 63662895
3-methyl-4-[2-(methylamino)ethylsulfonyl]piperazin-2-one
CID 63605941
4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]morpholine
CID 47141640
4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one
CID 63606606
4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-methylpiperazin-2-one
CID 63362855
4-(4-amino-2,6-dimethylphenyl)sulfonyl-3-methylpiperazin-2-one
CID 79589199

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-morpholin-4-ylsulfonylpiperazin-2-one?
The IUPAC name of 3-methyl-4-morpholin-4-ylsulfonylpiperazin-2-one (CID 55218367) is 3-methyl-4-morpholin-4-ylsulfonylpiperazin-2-one.
What is the SMILES notation for 3-methyl-4-morpholin-4-ylsulfonylpiperazin-2-one?
The canonical SMILES for 3-methyl-4-morpholin-4-ylsulfonylpiperazin-2-one is CC1C(=O)NCCN1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-methyl-4-morpholin-4-ylsulfonylpiperazin-2-one?
The InChIKey is VXUOTQIVZFJLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S/c1-8-9(13)10-2-3-12(8)17(14,15)11-4-6-16-7-5-11/h8H,2-7H2,1H3,(H,10,13).
What are the key properties of 3-methyl-4-morpholin-4-ylsulfonylpiperazin-2-one?
3-methyl-4-morpholin-4-ylsulfonylpiperazin-2-one has a molecular weight of 263.32 g/mol, XLogP of -1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-morpholin-4-ylsulfonylpiperazin-2-one is sourced from PubChem (CID 55218367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).