N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine

C12H22N4O2S — CID 104710312

IUPACN-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(S(=O)(=O)c2ccnn2C)CC1
InChIInChI=1S/C12H22N4O2S/c1-3-13-10-11-5-8-16(9-6-11)19(17,18)12-4-7-14-15(12)2/h4,7,11,13H,3,5-6,8-10H2,1-2H3
InChIKeyDDIIEJCGBBNWGI-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.43
Rot. Bonds5

About N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine

N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine (PubChem CID 104710312) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine
PubChem CID104710312
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(S(=O)(=O)c2ccnn2C)CC1
InChIInChI=1S/C12H22N4O2S/c1-3-13-10-11-5-8-16(9-6-11)19(17,18)12-4-7-14-15(12)2/h4,7,11,13H,3,5-6,8-10H2,1-2H3
InChIKeyDDIIEJCGBBNWGI-UHFFFAOYSA-N
XLogP0.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine (CID 104710312) is N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine is CCNCC1CCN(S(=O)(=O)c2ccnn2C)CC1.
What is the InChIKey of N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine?
The InChIKey is DDIIEJCGBBNWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-13-10-11-5-8-16(9-6-11)19(17,18)12-4-7-14-15(12)2/h4,7,11,13H,3,5-6,8-10H2,1-2H3.
What are the key properties of N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine?
N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine has a molecular weight of 286.40 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 104710312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).