1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-amine

C10H18N4O2S — CID 25247408

IUPAC1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-amine
SMILESCCn1cc(S(=O)(=O)N2CCC(N)CC2)cn1
InChIInChI=1S/C10H18N4O2S/c1-2-13-8-10(7-12-13)17(15,16)14-5-3-9(11)4-6-14/h7-9H,2-6,11H2,1H3
InChIKeyBGPWUPUFAAFZJE-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.01
Rot. Bonds3

About 1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-amine

1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-amine (PubChem CID 25247408) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-amine
PubChem CID25247408
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-amine
SMILESCCn1cc(S(=O)(=O)N2CCC(N)CC2)cn1
InChIInChI=1S/C10H18N4O2S/c1-2-13-8-10(7-12-13)17(15,16)14-5-3-9(11)4-6-14/h7-9H,2-6,11H2,1H3
InChIKeyBGPWUPUFAAFZJE-UHFFFAOYSA-N
XLogP0.01
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-amine (CID 25247408) is 1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-amine is CCn1cc(S(=O)(=O)N2CCC(N)CC2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The InChIKey is BGPWUPUFAAFZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-2-13-8-10(7-12-13)17(15,16)14-5-3-9(11)4-6-14/h7-9H,2-6,11H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-amine has a molecular weight of 258.35 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 25247408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).