2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxyethanol

C12H22N4O4S — CID 82012417

IUPAC2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxyethanol
SMILESCCn1cc(S(=O)(=O)N2CCC(OCCO)CC2)c(N)n1
InChIInChI=1S/C12H22N4O4S/c1-2-15-9-11(12(13)14-15)21(18,19)16-5-3-10(4-6-16)20-8-7-17/h9-10,17H,2-8H2,1H3,(H2,13,14)
InChIKeyRVRCVGVFFSCCLK-UHFFFAOYSA-N
MW318.40 g/mol
LogP-0.35
Rot. Bonds6

About 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxyethanol

2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxyethanol (PubChem CID 82012417) has the molecular formula C12H22N4O4S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxyethanol
PubChem CID82012417
Molecular FormulaC12H22N4O4S
Molecular Weight318.40 g/mol
Exact Mass318.14
IUPAC Name2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxyethanol
SMILESCCn1cc(S(=O)(=O)N2CCC(OCCO)CC2)c(N)n1
InChIInChI=1S/C12H22N4O4S/c1-2-15-9-11(12(13)14-15)21(18,19)16-5-3-10(4-6-16)20-8-7-17/h9-10,17H,2-8H2,1H3,(H2,13,14)
InChIKeyRVRCVGVFFSCCLK-UHFFFAOYSA-N
XLogP-0.35
TPSA110.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxyethanol (CID 82012417) is 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxyethanol is CCn1cc(S(=O)(=O)N2CCC(OCCO)CC2)c(N)n1.
What is the InChIKey of 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxyethanol?
The InChIKey is RVRCVGVFFSCCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4S/c1-2-15-9-11(12(13)14-15)21(18,19)16-5-3-10(4-6-16)20-8-7-17/h9-10,17H,2-8H2,1H3,(H2,13,14).
What are the key properties of 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxyethanol?
2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxyethanol has a molecular weight of 318.40 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxyethanol is sourced from PubChem (CID 82012417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).