4-methyl-1-piperidin-1-ylsulfonylpyrazolidin-3-one

C9H17N3O3S — CID 134120945

IUPAC4-methyl-1-piperidin-1-ylsulfonylpyrazolidin-3-one
SMILESCC1CN(S(=O)(=O)N2CCCCC2)NC1=O
InChIInChI=1S/C9H17N3O3S/c1-8-7-12(10-9(8)13)16(14,15)11-5-3-2-4-6-11/h8H,2-7H2,1H3,(H,10,13)
InChIKeyLZJLSJIWMVKNEL-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.30
Rot. Bonds2

About 4-methyl-1-piperidin-1-ylsulfonylpyrazolidin-3-one

4-methyl-1-piperidin-1-ylsulfonylpyrazolidin-3-one (PubChem CID 134120945) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-methyl-1-piperidin-1-ylsulfonylpyrazolidin-3-one.

Molecular Properties

Compound Name4-methyl-1-piperidin-1-ylsulfonylpyrazolidin-3-one
PubChem CID134120945
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name4-methyl-1-piperidin-1-ylsulfonylpyrazolidin-3-one
SMILESCC1CN(S(=O)(=O)N2CCCCC2)NC1=O
InChIInChI=1S/C9H17N3O3S/c1-8-7-12(10-9(8)13)16(14,15)11-5-3-2-4-6-11/h8H,2-7H2,1H3,(H,10,13)
InChIKeyLZJLSJIWMVKNEL-UHFFFAOYSA-N
XLogP-0.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-piperidin-1-ylsulfonylpyrazolidin-3-one?
The IUPAC name of 4-methyl-1-piperidin-1-ylsulfonylpyrazolidin-3-one (CID 134120945) is 4-methyl-1-piperidin-1-ylsulfonylpyrazolidin-3-one.
What is the SMILES notation for 4-methyl-1-piperidin-1-ylsulfonylpyrazolidin-3-one?
The canonical SMILES for 4-methyl-1-piperidin-1-ylsulfonylpyrazolidin-3-one is CC1CN(S(=O)(=O)N2CCCCC2)NC1=O.
What is the InChIKey of 4-methyl-1-piperidin-1-ylsulfonylpyrazolidin-3-one?
The InChIKey is LZJLSJIWMVKNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-8-7-12(10-9(8)13)16(14,15)11-5-3-2-4-6-11/h8H,2-7H2,1H3,(H,10,13).
What are the key properties of 4-methyl-1-piperidin-1-ylsulfonylpyrazolidin-3-one?
4-methyl-1-piperidin-1-ylsulfonylpyrazolidin-3-one has a molecular weight of 247.32 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-piperidin-1-ylsulfonylpyrazolidin-3-one is sourced from PubChem (CID 134120945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).