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

C12H20N4O2S — CID 55043901

IUPACN-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCCNc1ncccc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C12H20N4O2S/c1-3-13-12-11(5-4-6-14-12)19(17,18)16-9-7-15(2)8-10-16/h4-6H,3,7-10H2,1-2H3,(H,13,14)
InChIKeyUKHZUDBWFGLGJX-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.45
Rot. Bonds4

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

N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 55043901) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID55043901
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCCNc1ncccc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C12H20N4O2S/c1-3-13-12-11(5-4-6-14-12)19(17,18)16-9-7-15(2)8-10-16/h4-6H,3,7-10H2,1-2H3,(H,13,14)
InChIKeyUKHZUDBWFGLGJX-UHFFFAOYSA-N
XLogP0.45
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62148584
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol
CID 81108237
N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63605654
N-ethyl-3-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62148841
3-(azocan-1-ylsulfonyl)-N-propylpyridin-2-amine
CID 62150305
3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 55044035
3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043946
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol
CID 102964473
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
CID 55043660
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine
CID 82752813
N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine
CID 106588741
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62145977

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 55043901) is N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is CCNc1ncccc1S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is UKHZUDBWFGLGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-13-12-11(5-4-6-14-12)19(17,18)16-9-7-15(2)8-10-16/h4-6H,3,7-10H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 284.38 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 55043901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).