3-methylsulfonyl-1-piperazin-1-ylpropan-1-one

C8H16N2O3S — CID 61003211

IUPAC3-methylsulfonyl-1-piperazin-1-ylpropan-1-one
SMILESCS(=O)(=O)CCC(=O)N1CCNCC1
InChIInChI=1S/C8H16N2O3S/c1-14(12,13)7-2-8(11)10-5-3-9-4-6-10/h9H,2-7H2,1H3
InChIKeyVOPSXXWRWBOWGA-UHFFFAOYSA-N
MW220.29 g/mol
LogP-1.15
Rot. Bonds3

About 3-methylsulfonyl-1-piperazin-1-ylpropan-1-one

3-methylsulfonyl-1-piperazin-1-ylpropan-1-one (PubChem CID 61003211) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-methylsulfonyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-methylsulfonyl-1-piperazin-1-ylpropan-1-one
PubChem CID61003211
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name3-methylsulfonyl-1-piperazin-1-ylpropan-1-one
SMILESCS(=O)(=O)CCC(=O)N1CCNCC1
InChIInChI=1S/C8H16N2O3S/c1-14(12,13)7-2-8(11)10-5-3-9-4-6-10/h9H,2-7H2,1H3
InChIKeyVOPSXXWRWBOWGA-UHFFFAOYSA-N
XLogP-1.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methylsulfonyl-1-piperazin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylsulfonylpropanoyl)piperidin-4-one
CID 164545442
2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetic acid
CID 82182500
2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetamide
CID 82182498
4-methyl-1-methylsulfonyl-4-piperazin-1-ylpentan-3-one
CID 116599289
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylsulfonylpropan-1-one
CID 113284794
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
3-methylsulfonyl-1-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one
CID 131910724
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
3-methylsulfonyl-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 131900495
N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride
CID 119967617
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
1-(3-aminopyrrolidin-1-yl)-3-methylsulfonylpropan-1-one
CID 62068727

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-methylsulfonyl-1-piperazin-1-ylpropan-1-one (CID 61003211) is 3-methylsulfonyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-methylsulfonyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-methylsulfonyl-1-piperazin-1-ylpropan-1-one is CS(=O)(=O)CCC(=O)N1CCNCC1.
What is the InChIKey of 3-methylsulfonyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is VOPSXXWRWBOWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-14(12,13)7-2-8(11)10-5-3-9-4-6-10/h9H,2-7H2,1H3.
What are the key properties of 3-methylsulfonyl-1-piperazin-1-ylpropan-1-one?
3-methylsulfonyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 220.29 g/mol, XLogP of -1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 61003211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).