1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol

C12H20N4O3S — CID 102964418

IUPAC1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol
SMILESCCNc1ncc(S(=O)(=O)N2CCC(C)C(O)C2)cn1
InChIInChI=1S/C12H20N4O3S/c1-3-13-12-14-6-10(7-15-12)20(18,19)16-5-4-9(2)11(17)8-16/h6-7,9,11,17H,3-5,8H2,1-2H3,(H,13,14,15)
InChIKeyGFNYMIWSZNFXQS-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.30
Rot. Bonds4

About 1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol

1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol (PubChem CID 102964418) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol
PubChem CID102964418
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol
SMILESCCNc1ncc(S(=O)(=O)N2CCC(C)C(O)C2)cn1
InChIInChI=1S/C12H20N4O3S/c1-3-13-12-14-6-10(7-15-12)20(18,19)16-5-4-9(2)11(17)8-16/h6-7,9,11,17H,3-5,8H2,1-2H3,(H,13,14,15)
InChIKeyGFNYMIWSZNFXQS-UHFFFAOYSA-N
XLogP0.30
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol
CID 62142988
5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine
CID 62930000
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol
CID 102964473
1-[[6-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 55130406
1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol
CID 115966968
5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 113418709
5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62153138
1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-methylpiperidin-3-ol
CID 102959041
1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol
CID 102956939
1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 62942337
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62143329
1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971036

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol?
The IUPAC name of 1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol (CID 102964418) is 1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol is CCNc1ncc(S(=O)(=O)N2CCC(C)C(O)C2)cn1.
What is the InChIKey of 1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol?
The InChIKey is GFNYMIWSZNFXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-13-12-14-6-10(7-15-12)20(18,19)16-5-4-9(2)11(17)8-16/h6-7,9,11,17H,3-5,8H2,1-2H3,(H,13,14,15).
What are the key properties of 1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol?
1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol has a molecular weight of 300.38 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol is sourced from PubChem (CID 102964418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).