(6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one

C10H16N4O3S — CID 131922749

IUPAC(6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CC(=O)N[C@H](C)C1
InChIInChI=1S/C10H16N4O3S/c1-6-4-14(5-9(15)11-6)18(16,17)10-7(2)12-13-8(10)3/h6H,4-5H2,1-3H3,(H,11,15)(H,12,13)/t6-/m1/s1
InChIKeyGVUCURGHCYPNCB-ZCFIWIBFSA-N
MW272.33 g/mol
LogP-0.46
Rot. Bonds2

About (6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one

(6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one (PubChem CID 131922749) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is (6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one.

Molecular Properties

Compound Name(6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one
PubChem CID131922749
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name(6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CC(=O)N[C@H](C)C1
InChIInChI=1S/C10H16N4O3S/c1-6-4-14(5-9(15)11-6)18(16,17)10-7(2)12-13-8(10)3/h6H,4-5H2,1-3H3,(H,11,15)(H,12,13)/t6-/m1/s1
InChIKeyGVUCURGHCYPNCB-ZCFIWIBFSA-N
XLogP-0.46
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole
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1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
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2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]ethanol
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CID 102681096
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N'-hydroxypiperidine-4-carboximidamide
CID 77038288
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
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1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of (6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one?
The IUPAC name of (6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one (CID 131922749) is (6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one.
What is the SMILES notation for (6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one?
The canonical SMILES for (6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one is Cc1n[nH]c(C)c1S(=O)(=O)N1CC(=O)N[C@H](C)C1.
What is the InChIKey of (6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one?
The InChIKey is GVUCURGHCYPNCB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-6-4-14(5-9(15)11-6)18(16,17)10-7(2)12-13-8(10)3/h6H,4-5H2,1-3H3,(H,11,15)(H,12,13)/t6-/m1/s1.
What are the key properties of (6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one?
(6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one has a molecular weight of 272.33 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one is sourced from PubChem (CID 131922749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).