N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine

C13H22N4O2S — CID 62149616

IUPACN-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCCNc1ccc(S(=O)(=O)N2CCN(CC)CC2)cn1
InChIInChI=1S/C13H22N4O2S/c1-3-14-13-6-5-12(11-15-13)20(18,19)17-9-7-16(4-2)8-10-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,14,15)
InChIKeyTXSCLAYQFOTNCY-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.84
Rot. Bonds5

About N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine

N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 62149616) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID62149616
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCCNc1ccc(S(=O)(=O)N2CCN(CC)CC2)cn1
InChIInChI=1S/C13H22N4O2S/c1-3-14-13-6-5-12(11-15-13)20(18,19)17-9-7-16(4-2)8-10-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,14,15)
InChIKeyTXSCLAYQFOTNCY-UHFFFAOYSA-N
XLogP0.84
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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[5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine
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CID 55130406
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
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5-(4-ethylpiperazin-1-yl)sulfonylpyrimidin-2-amine
CID 46360864
N-(1-ethylpiperidin-4-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8566045
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 62153528
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133293070

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 62149616) is N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine is CCNc1ccc(S(=O)(=O)N2CCN(CC)CC2)cn1.
What is the InChIKey of N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is TXSCLAYQFOTNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-14-13-6-5-12(11-15-13)20(18,19)17-9-7-16(4-2)8-10-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 298.41 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 62149616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).