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

C9H16N4O2S — CID 25247404

IUPAC1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine
SMILESCn1cc(S(=O)(=O)N2CCC(N)CC2)cn1
InChIInChI=1S/C9H16N4O2S/c1-12-7-9(6-11-12)16(14,15)13-4-2-8(10)3-5-13/h6-8H,2-5,10H2,1H3
InChIKeyCISPPNKHAJENNL-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.47
Rot. Bonds2

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

1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine (PubChem CID 25247404) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine
PubChem CID25247404
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine
SMILESCn1cc(S(=O)(=O)N2CCC(N)CC2)cn1
InChIInChI=1S/C9H16N4O2S/c1-12-7-9(6-11-12)16(14,15)13-4-2-8(10)3-5-13/h6-8H,2-5,10H2,1H3
InChIKeyCISPPNKHAJENNL-UHFFFAOYSA-N
XLogP-0.47
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine (CID 25247404) is 1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine is Cn1cc(S(=O)(=O)N2CCC(N)CC2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The InChIKey is CISPPNKHAJENNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-12-7-9(6-11-12)16(14,15)13-4-2-8(10)3-5-13/h6-8H,2-5,10H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine?
1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine has a molecular weight of 244.32 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 25247404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).