1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine

C12H22N4O2S — CID 62065706

IUPAC1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine
SMILESCCCn1cc(S(=O)(=O)N2CCCC(N)C2)nc1C
InChIInChI=1S/C12H22N4O2S/c1-3-6-15-9-12(14-10(15)2)19(17,18)16-7-4-5-11(13)8-16/h9,11H,3-8,13H2,1-2H3
InChIKeyVWRNNLGPRYHMFL-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.71
Rot. Bonds4

About 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine

1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine (PubChem CID 62065706) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine
PubChem CID62065706
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine
SMILESCCCn1cc(S(=O)(=O)N2CCCC(N)C2)nc1C
InChIInChI=1S/C12H22N4O2S/c1-3-6-15-9-12(14-10(15)2)19(17,18)16-7-4-5-11(13)8-16/h9,11H,3-8,13H2,1-2H3
InChIKeyVWRNNLGPRYHMFL-UHFFFAOYSA-N
XLogP0.71
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine?
The IUPAC name of 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine (CID 62065706) is 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine.
What is the SMILES notation for 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine?
The canonical SMILES for 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine is CCCn1cc(S(=O)(=O)N2CCCC(N)C2)nc1C.
What is the InChIKey of 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine?
The InChIKey is VWRNNLGPRYHMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-6-15-9-12(14-10(15)2)19(17,18)16-7-4-5-11(13)8-16/h9,11H,3-8,13H2,1-2H3.
What are the key properties of 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine?
1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine has a molecular weight of 286.40 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 62065706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).