5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine

C14H24N4O2S — CID 62153138

IUPAC5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(S(=O)(=O)N2CCC(CC)CC2)cn1
InChIInChI=1S/C14H24N4O2S/c1-3-7-15-14-16-10-13(11-17-14)21(19,20)18-8-5-12(4-2)6-9-18/h10-12H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyRGGIIRMPLZCWBT-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.11
Rot. Bonds6

About 5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine

5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine (PubChem CID 62153138) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
PubChem CID62153138
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(S(=O)(=O)N2CCC(CC)CC2)cn1
InChIInChI=1S/C14H24N4O2S/c1-3-7-15-14-16-10-13(11-17-14)21(19,20)18-8-5-12(4-2)6-9-18/h10-12H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyRGGIIRMPLZCWBT-UHFFFAOYSA-N
XLogP2.11
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol
CID 62142988
1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol
CID 115966968
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62143329
5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62164701
5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 113418709
5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62147056
5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine
CID 62930000
5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine
CID 55050229
1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol
CID 102964418
1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
CID 64608688
[1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 115966945
[5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
CID 61329704

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine?
The IUPAC name of 5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine (CID 62153138) is 5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine is CCCNc1ncc(S(=O)(=O)N2CCC(CC)CC2)cn1.
What is the InChIKey of 5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine?
The InChIKey is RGGIIRMPLZCWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-7-15-14-16-10-13(11-17-14)21(19,20)18-8-5-12(4-2)6-9-18/h10-12H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine?
5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine has a molecular weight of 312.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 62153138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).