4-propan-2-ylsulfonylpiperazin-2-one

C7H14N2O3S — CID 47371380

IUPAC4-propan-2-ylsulfonylpiperazin-2-one
SMILESCC(C)S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C7H14N2O3S/c1-6(2)13(11,12)9-4-3-8-7(10)5-9/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyXGSNEEFANNEJPU-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.84
Rot. Bonds2

About 4-propan-2-ylsulfonylpiperazin-2-one

4-propan-2-ylsulfonylpiperazin-2-one (PubChem CID 47371380) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-propan-2-ylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-propan-2-ylsulfonylpiperazin-2-one
PubChem CID47371380
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name4-propan-2-ylsulfonylpiperazin-2-one
SMILESCC(C)S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C7H14N2O3S/c1-6(2)13(11,12)9-4-3-8-7(10)5-9/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyXGSNEEFANNEJPU-UHFFFAOYSA-N
XLogP-0.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylsulfonylpiperazin-2-one?
The IUPAC name of 4-propan-2-ylsulfonylpiperazin-2-one (CID 47371380) is 4-propan-2-ylsulfonylpiperazin-2-one.
What is the SMILES notation for 4-propan-2-ylsulfonylpiperazin-2-one?
The canonical SMILES for 4-propan-2-ylsulfonylpiperazin-2-one is CC(C)S(=O)(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-propan-2-ylsulfonylpiperazin-2-one?
The InChIKey is XGSNEEFANNEJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-6(2)13(11,12)9-4-3-8-7(10)5-9/h6H,3-5H2,1-2H3,(H,8,10).
What are the key properties of 4-propan-2-ylsulfonylpiperazin-2-one?
4-propan-2-ylsulfonylpiperazin-2-one has a molecular weight of 206.27 g/mol, XLogP of -0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfonylpiperazin-2-one is sourced from PubChem (CID 47371380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).