5-(4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one

C10H15N3O3S — CID 829832

IUPAC5-(4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C10H15N3O3S/c1-12-4-6-13(7-5-12)17(15,16)9-2-3-10(14)11-8-9/h2-3,8H,4-7H2,1H3,(H,11,14)
InChIKeyPOCZRBFLZSHNOW-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.69
Rot. Bonds2

About 5-(4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one

5-(4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 829832) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
PubChem CID829832
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name5-(4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C10H15N3O3S/c1-12-4-6-13(7-5-12)17(15,16)9-2-3-10(14)11-8-9/h2-3,8H,4-7H2,1H3,(H,11,14)
InChIKeyPOCZRBFLZSHNOW-UHFFFAOYSA-N
XLogP-0.69
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one (CID 829832) is 5-(4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one is CN1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is POCZRBFLZSHNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-12-4-6-13(7-5-12)17(15,16)9-2-3-10(14)11-8-9/h2-3,8H,4-7H2,1H3,(H,11,14).
What are the key properties of 5-(4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one?
5-(4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 257.31 g/mol, XLogP of -0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 829832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).