1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol

C12H20N4O3S — CID 62142988

IUPAC1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol
SMILESCCCNc1ncc(S(=O)(=O)N2CCC(O)CC2)cn1
InChIInChI=1S/C12H20N4O3S/c1-2-5-13-12-14-8-11(9-15-12)20(18,19)16-6-3-10(17)4-7-16/h8-10,17H,2-7H2,1H3,(H,13,14,15)
InChIKeyNLOSRMVUKWJGAN-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.44
Rot. Bonds5

About 1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol

1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol (PubChem CID 62142988) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol
PubChem CID62142988
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol
SMILESCCCNc1ncc(S(=O)(=O)N2CCC(O)CC2)cn1
InChIInChI=1S/C12H20N4O3S/c1-2-5-13-12-14-8-11(9-15-12)20(18,19)16-6-3-10(17)4-7-16/h8-10,17H,2-7H2,1H3,(H,13,14,15)
InChIKeyNLOSRMVUKWJGAN-UHFFFAOYSA-N
XLogP0.44
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol?
The IUPAC name of 1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol (CID 62142988) is 1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol?
The canonical SMILES for 1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol is CCCNc1ncc(S(=O)(=O)N2CCC(O)CC2)cn1.
What is the InChIKey of 1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol?
The InChIKey is NLOSRMVUKWJGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-2-5-13-12-14-8-11(9-15-12)20(18,19)16-6-3-10(17)4-7-16/h8-10,17H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol?
1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol has a molecular weight of 300.38 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol is sourced from PubChem (CID 62142988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).