3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine

C12H20N4O2S — CID 55044035

IUPAC3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine
SMILESCCN1CCN(S(=O)(=O)c2cccnc2NC)CC1
InChIInChI=1S/C12H20N4O2S/c1-3-15-7-9-16(10-8-15)19(17,18)11-5-4-6-14-12(11)13-2/h4-6H,3,7-10H2,1-2H3,(H,13,14)
InChIKeyMWBMJFMOPSPAQM-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.45
Rot. Bonds4

About 3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine

3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine (PubChem CID 55044035) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine
PubChem CID55044035
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine
SMILESCCN1CCN(S(=O)(=O)c2cccnc2NC)CC1
InChIInChI=1S/C12H20N4O2S/c1-3-15-7-9-16(10-8-15)19(17,18)11-5-4-6-14-12(11)13-2/h4-6H,3,7-10H2,1-2H3,(H,13,14)
InChIKeyMWBMJFMOPSPAQM-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

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Related Compounds

2-[4-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-1-yl]ethanol
CID 107226271
3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 63161871
N-ethyl-3-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62148584
N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043901
4-[[2-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one
CID 62144746
3-(3-ethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 62146476
3-(azocan-1-ylsulfonyl)-N-propylpyridin-2-amine
CID 62150305
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-N-methylpyridin-2-amine
CID 64575485
[3-(4-methylsulfonylpiperazin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 62992566
[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-2-pyridinyl]hydrazine
CID 61442880
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol
CID 81108237
[4-[[2-(methylamino)-3-pyridinyl]sulfonyl]morpholin-2-yl]methanol
CID 81213010

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine (CID 55044035) is 3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine is CCN1CCN(S(=O)(=O)c2cccnc2NC)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The InChIKey is MWBMJFMOPSPAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-15-7-9-16(10-8-15)19(17,18)11-5-4-6-14-12(11)13-2/h4-6H,3,7-10H2,1-2H3,(H,13,14).
What are the key properties of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine?
3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-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 3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine is sourced from PubChem (CID 55044035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).