[4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone

C14H22N4O4S — CID 17371556

IUPAC[4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1nn(C)cc1S(=O)(=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H22N4O4S/c1-11-13(10-16(2)15-11)23(20,21)18-7-5-17(6-8-18)14(19)12-4-3-9-22-12/h10,12H,3-9H2,1-2H3
InChIKeyVPYKKCCZUJHSRQ-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.26
Rot. Bonds3

About [4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone

[4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 17371556) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is [4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID17371556
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name[4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1nn(C)cc1S(=O)(=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H22N4O4S/c1-11-13(10-16(2)15-11)23(20,21)18-7-5-17(6-8-18)14(19)12-4-3-9-22-12/h10,12H,3-9H2,1-2H3
InChIKeyVPYKKCCZUJHSRQ-UHFFFAOYSA-N
XLogP-0.26
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (CID 17371556) is [4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is Cc1nn(C)cc1S(=O)(=O)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is VPYKKCCZUJHSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-11-13(10-16(2)15-11)23(20,21)18-7-5-17(6-8-18)14(19)12-4-3-9-22-12/h10,12H,3-9H2,1-2H3.
What are the key properties of [4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 342.42 g/mol, XLogP of -0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 17371556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).