5-piperidin-1-ylsulfonylpyrimidin-2-amine

C9H14N4O2S — CID 46253507

IUPAC5-piperidin-1-ylsulfonylpyrimidin-2-amine
SMILESNc1ncc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C9H14N4O2S/c10-9-11-6-8(7-12-9)16(14,15)13-4-2-1-3-5-13/h6-7H,1-5H2,(H2,10,11,12)
InChIKeyIGVGHUIRCBHTPS-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.23
Rot. Bonds2

About 5-piperidin-1-ylsulfonylpyrimidin-2-amine

5-piperidin-1-ylsulfonylpyrimidin-2-amine (PubChem CID 46253507) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonylpyrimidin-2-amine.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonylpyrimidin-2-amine
PubChem CID46253507
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name5-piperidin-1-ylsulfonylpyrimidin-2-amine
SMILESNc1ncc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C9H14N4O2S/c10-9-11-6-8(7-12-9)16(14,15)13-4-2-1-3-5-13/h6-7H,1-5H2,(H2,10,11,12)
InChIKeyIGVGHUIRCBHTPS-UHFFFAOYSA-N
XLogP0.23
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonylpyrimidin-2-amine?
The IUPAC name of 5-piperidin-1-ylsulfonylpyrimidin-2-amine (CID 46253507) is 5-piperidin-1-ylsulfonylpyrimidin-2-amine.
What is the SMILES notation for 5-piperidin-1-ylsulfonylpyrimidin-2-amine?
The canonical SMILES for 5-piperidin-1-ylsulfonylpyrimidin-2-amine is Nc1ncc(S(=O)(=O)N2CCCCC2)cn1.
What is the InChIKey of 5-piperidin-1-ylsulfonylpyrimidin-2-amine?
The InChIKey is IGVGHUIRCBHTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c10-9-11-6-8(7-12-9)16(14,15)13-4-2-1-3-5-13/h6-7H,1-5H2,(H2,10,11,12).
What are the key properties of 5-piperidin-1-ylsulfonylpyrimidin-2-amine?
5-piperidin-1-ylsulfonylpyrimidin-2-amine has a molecular weight of 242.30 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonylpyrimidin-2-amine is sourced from PubChem (CID 46253507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).