4-(2-methylpropylsulfonyl)piperazin-2-one

C8H16N2O3S — CID 62733499

IUPAC4-(2-methylpropylsulfonyl)piperazin-2-one
SMILESCC(C)CS(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H16N2O3S/c1-7(2)6-14(12,13)10-4-3-9-8(11)5-10/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyDJJUOBPBVKQVEQ-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.60
Rot. Bonds3

About 4-(2-methylpropylsulfonyl)piperazin-2-one

4-(2-methylpropylsulfonyl)piperazin-2-one (PubChem CID 62733499) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-(2-methylpropylsulfonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-methylpropylsulfonyl)piperazin-2-one
PubChem CID62733499
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name4-(2-methylpropylsulfonyl)piperazin-2-one
SMILESCC(C)CS(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H16N2O3S/c1-7(2)6-14(12,13)10-4-3-9-8(11)5-10/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyDJJUOBPBVKQVEQ-UHFFFAOYSA-N
XLogP-0.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylsulfonyl)piperazin-2-one?
The IUPAC name of 4-(2-methylpropylsulfonyl)piperazin-2-one (CID 62733499) is 4-(2-methylpropylsulfonyl)piperazin-2-one.
What is the SMILES notation for 4-(2-methylpropylsulfonyl)piperazin-2-one?
The canonical SMILES for 4-(2-methylpropylsulfonyl)piperazin-2-one is CC(C)CS(=O)(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(2-methylpropylsulfonyl)piperazin-2-one?
The InChIKey is DJJUOBPBVKQVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-7(2)6-14(12,13)10-4-3-9-8(11)5-10/h7H,3-6H2,1-2H3,(H,9,11).
What are the key properties of 4-(2-methylpropylsulfonyl)piperazin-2-one?
4-(2-methylpropylsulfonyl)piperazin-2-one has a molecular weight of 220.29 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylsulfonyl)piperazin-2-one is sourced from PubChem (CID 62733499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).