N-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine

C15H28N4O2S — CID 119990565

IUPACN-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(S(=O)(=O)c2cn(CC(C)C)cn2)CC1
InChIInChI=1S/C15H28N4O2S/c1-4-16-9-14-5-7-19(8-6-14)22(20,21)15-11-18(12-17-15)10-13(2)3/h11-14,16H,4-10H2,1-3H3
InChIKeyQJHPQSIWMMPCJD-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.55
Rot. Bonds7

About N-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine

N-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine (PubChem CID 119990565) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine
PubChem CID119990565
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC NameN-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(S(=O)(=O)c2cn(CC(C)C)cn2)CC1
InChIInChI=1S/C15H28N4O2S/c1-4-16-9-14-5-7-19(8-6-14)22(20,21)15-11-18(12-17-15)10-13(2)3/h11-14,16H,4-10H2,1-3H3
InChIKeyQJHPQSIWMMPCJD-UHFFFAOYSA-N
XLogP1.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine (CID 119990565) is N-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine is CCNCC1CCN(S(=O)(=O)c2cn(CC(C)C)cn2)CC1.
What is the InChIKey of N-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine?
The InChIKey is QJHPQSIWMMPCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2S/c1-4-16-9-14-5-7-19(8-6-14)22(20,21)15-11-18(12-17-15)10-13(2)3/h11-14,16H,4-10H2,1-3H3.
What are the key properties of N-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine?
N-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine has a molecular weight of 328.48 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 119990565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).