N-[1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine

C13H18N6O2S — CID 141271887

IUPACN-[1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine
SMILESCn1ccc(S(=O)(=O)N2CCCC(Nc3ncccn3)C2)n1
InChIInChI=1S/C13H18N6O2S/c1-18-9-5-12(17-18)22(20,21)19-8-2-4-11(10-19)16-13-14-6-3-7-15-13/h3,5-7,9,11H,2,4,8,10H2,1H3,(H,14,15,16)
InChIKeyXXQIORHOEMBKPA-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.48
Rot. Bonds4

About N-[1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine

N-[1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine (PubChem CID 141271887) has the molecular formula C13H18N6O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine
PubChem CID141271887
Molecular FormulaC13H18N6O2S
Molecular Weight322.39 g/mol
Exact Mass322.12
IUPAC NameN-[1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine
SMILESCn1ccc(S(=O)(=O)N2CCCC(Nc3ncccn3)C2)n1
InChIInChI=1S/C13H18N6O2S/c1-18-9-5-12(17-18)22(20,21)19-8-2-4-11(10-19)16-13-14-6-3-7-15-13/h3,5-7,9,11H,2,4,8,10H2,1H3,(H,14,15,16)
InChIKeyXXQIORHOEMBKPA-UHFFFAOYSA-N
XLogP0.48
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine (CID 141271887) is N-[1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine is Cn1ccc(S(=O)(=O)N2CCCC(Nc3ncccn3)C2)n1.
What is the InChIKey of N-[1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine?
The InChIKey is XXQIORHOEMBKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2S/c1-18-9-5-12(17-18)22(20,21)19-8-2-4-11(10-19)16-13-14-6-3-7-15-13/h3,5-7,9,11H,2,4,8,10H2,1H3,(H,14,15,16).
What are the key properties of N-[1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine?
N-[1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine has a molecular weight of 322.39 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 141271887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).