3-methyl-4-[2-(methylamino)ethylsulfonyl]piperazin-2-one

C8H17N3O3S — CID 63605941

IUPAC3-methyl-4-[2-(methylamino)ethylsulfonyl]piperazin-2-one
SMILESCNCCS(=O)(=O)N1CCNC(=O)C1C
InChIInChI=1S/C8H17N3O3S/c1-7-8(12)10-3-5-11(7)15(13,14)6-4-9-2/h7,9H,3-6H2,1-2H3,(H,10,12)
InChIKeyZLGMYFVCWRLOEZ-UHFFFAOYSA-N
MW235.31 g/mol
LogP-1.64
Rot. Bonds4

About 3-methyl-4-[2-(methylamino)ethylsulfonyl]piperazin-2-one

3-methyl-4-[2-(methylamino)ethylsulfonyl]piperazin-2-one (PubChem CID 63605941) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-methyl-4-[2-(methylamino)ethylsulfonyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[2-(methylamino)ethylsulfonyl]piperazin-2-one
PubChem CID63605941
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name3-methyl-4-[2-(methylamino)ethylsulfonyl]piperazin-2-one
SMILESCNCCS(=O)(=O)N1CCNC(=O)C1C
InChIInChI=1S/C8H17N3O3S/c1-7-8(12)10-3-5-11(7)15(13,14)6-4-9-2/h7,9H,3-6H2,1-2H3,(H,10,12)
InChIKeyZLGMYFVCWRLOEZ-UHFFFAOYSA-N
XLogP-1.64
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(ethylamino)ethylsulfonyl]-3-methylpiperazin-2-one
CID 63606606
3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one
CID 63662895
2-(2-methyl-3-oxopiperazin-1-yl)sulfonylacetonitrile
CID 63606088
N-ethyl-2-methyl-3-oxopiperazine-1-sulfonamide
CID 115638450
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-N-methylethanamine
CID 54974113
4-[[3-(aminomethyl)phenyl]methylsulfonyl]-3-methylpiperazin-2-one
CID 63607027
3-methyl-4-morpholin-4-ylsulfonylpiperazin-2-one
CID 55218367
4-butylsulfonyl-3-ethylpiperazin-2-one
CID 63600864
[3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol
CID 102782218
4-cyclopentylsulfonyl-3-ethylpiperazin-2-one
CID 115617335
2,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine
CID 22291187
4-(3-amino-4,5-dimethylphenyl)sulfonyl-3-methylpiperazin-2-one
CID 63594763

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(methylamino)ethylsulfonyl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[2-(methylamino)ethylsulfonyl]piperazin-2-one (CID 63605941) is 3-methyl-4-[2-(methylamino)ethylsulfonyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[2-(methylamino)ethylsulfonyl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[2-(methylamino)ethylsulfonyl]piperazin-2-one is CNCCS(=O)(=O)N1CCNC(=O)C1C.
What is the InChIKey of 3-methyl-4-[2-(methylamino)ethylsulfonyl]piperazin-2-one?
The InChIKey is ZLGMYFVCWRLOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-7-8(12)10-3-5-11(7)15(13,14)6-4-9-2/h7,9H,3-6H2,1-2H3,(H,10,12).
What are the key properties of 3-methyl-4-[2-(methylamino)ethylsulfonyl]piperazin-2-one?
3-methyl-4-[2-(methylamino)ethylsulfonyl]piperazin-2-one has a molecular weight of 235.31 g/mol, XLogP of -1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(methylamino)ethylsulfonyl]piperazin-2-one is sourced from PubChem (CID 63605941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).