3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]sulfonylpropan-1-amine

C17H24N4O2S — CID 167881385

IUPAC3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)N1CCN(Cc2ccc3ccccc3n2)CC1
InChIInChI=1S/C17H24N4O2S/c18-8-3-13-24(22,23)21-11-9-20(10-12-21)14-16-7-6-15-4-1-2-5-17(15)19-16/h1-2,4-7H,3,8-14,18H2
InChIKeyAVBWXCUVNDKGKX-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.03
Rot. Bonds6

About 3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]sulfonylpropan-1-amine

3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]sulfonylpropan-1-amine (PubChem CID 167881385) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]sulfonylpropan-1-amine
PubChem CID167881385
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)N1CCN(Cc2ccc3ccccc3n2)CC1
InChIInChI=1S/C17H24N4O2S/c18-8-3-13-24(22,23)21-11-9-20(10-12-21)14-16-7-6-15-4-1-2-5-17(15)19-16/h1-2,4-7H,3,8-14,18H2
InChIKeyAVBWXCUVNDKGKX-UHFFFAOYSA-N
XLogP1.03
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]sulfonylpropan-1-amine?
The IUPAC name of 3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]sulfonylpropan-1-amine (CID 167881385) is 3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]sulfonylpropan-1-amine.
What is the SMILES notation for 3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]sulfonylpropan-1-amine?
The canonical SMILES for 3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]sulfonylpropan-1-amine is NCCCS(=O)(=O)N1CCN(Cc2ccc3ccccc3n2)CC1.
What is the InChIKey of 3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]sulfonylpropan-1-amine?
The InChIKey is AVBWXCUVNDKGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c18-8-3-13-24(22,23)21-11-9-20(10-12-21)14-16-7-6-15-4-1-2-5-17(15)19-16/h1-2,4-7H,3,8-14,18H2.
What are the key properties of 3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]sulfonylpropan-1-amine?
3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]sulfonylpropan-1-amine has a molecular weight of 348.47 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]sulfonylpropan-1-amine is sourced from PubChem (CID 167881385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).