oxolan-2-yl-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]methanone

C12H18N4O4S — CID 60917295

IUPACoxolan-2-yl-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C12H18N4O4S/c17-12(11-2-1-7-20-11)15-3-5-16(6-4-15)21(18,19)10-8-13-14-9-10/h8-9,11H,1-7H2,(H,13,14)
InChIKeyAZCBXHYFLJLDSJ-UHFFFAOYSA-N
MW314.37 g/mol
LogP-0.58
Rot. Bonds3

About oxolan-2-yl-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]methanone

oxolan-2-yl-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]methanone (PubChem CID 60917295) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is oxolan-2-yl-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]methanone
PubChem CID60917295
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Nameoxolan-2-yl-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C12H18N4O4S/c17-12(11-2-1-7-20-11)15-3-5-16(6-4-15)21(18,19)10-8-13-14-9-10/h8-9,11H,1-7H2,(H,13,14)
InChIKeyAZCBXHYFLJLDSJ-UHFFFAOYSA-N
XLogP-0.58
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]methanone (CID 60917295) is oxolan-2-yl-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]methanone is O=C(C1CCCO1)N1CCN(S(=O)(=O)c2cn[nH]c2)CC1.
What is the InChIKey of oxolan-2-yl-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]methanone?
The InChIKey is AZCBXHYFLJLDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c17-12(11-2-1-7-20-11)15-3-5-16(6-4-15)21(18,19)10-8-13-14-9-10/h8-9,11H,1-7H2,(H,13,14).
What are the key properties of oxolan-2-yl-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]methanone?
oxolan-2-yl-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]methanone has a molecular weight of 314.37 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 60917295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).