N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C14H24N4O2S — CID 63605654

IUPACN-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCCNc1ncccc1S(=O)(=O)N1CCN(CC)C(C)C1
InChIInChI=1S/C14H24N4O2S/c1-4-15-14-13(7-6-8-16-14)21(19,20)18-10-9-17(5-2)12(3)11-18/h6-8,12H,4-5,9-11H2,1-3H3,(H,15,16)
InChIKeyINTAVHDDMXCERO-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.23
Rot. Bonds5

About N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine

N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 63605654) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID63605654
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCCNc1ncccc1S(=O)(=O)N1CCN(CC)C(C)C1
InChIInChI=1S/C14H24N4O2S/c1-4-15-14-13(7-6-8-16-14)21(19,20)18-10-9-17(5-2)12(3)11-18/h6-8,12H,4-5,9-11H2,1-3H3,(H,15,16)
InChIKeyINTAVHDDMXCERO-UHFFFAOYSA-N
XLogP1.23
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62148841
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol
CID 102964473
N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043901
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
CID 55043660
2-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline
CID 63604949
1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine
CID 103300086
N-ethyl-3-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62148584
N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine
CID 106588741
N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline
CID 63605307
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol
CID 81108237
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine
CID 82752813
3-(2-methylmorpholin-4-yl)sulfonyl-N-propylpyridin-2-amine
CID 62149023

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 63605654) is N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine is CCNc1ncccc1S(=O)(=O)N1CCN(CC)C(C)C1.
What is the InChIKey of N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is INTAVHDDMXCERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-15-14-13(7-6-8-16-14)21(19,20)18-10-9-17(5-2)12(3)11-18/h6-8,12H,4-5,9-11H2,1-3H3,(H,15,16).
What are the key properties of N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 312.44 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 63605654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).