[5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine

C13H22N4O2S — CID 114613509

IUPAC[5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine
SMILESCCN1CCN(S(=O)(=O)c2ccc(CN)nc2)CC1C
InChIInChI=1S/C13H22N4O2S/c1-3-16-6-7-17(10-11(16)2)20(18,19)13-5-4-12(8-14)15-9-13/h4-5,9,11H,3,6-8,10,14H2,1-2H3
InChIKeyZSMIYSGPPGBYCH-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.25
Rot. Bonds4

About [5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine

[5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine (PubChem CID 114613509) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is [5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine
PubChem CID114613509
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name[5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine
SMILESCCN1CCN(S(=O)(=O)c2ccc(CN)nc2)CC1C
InChIInChI=1S/C13H22N4O2S/c1-3-16-6-7-17(10-11(16)2)20(18,19)13-5-4-12(8-14)15-9-13/h4-5,9,11H,3,6-8,10,14H2,1-2H3
InChIKeyZSMIYSGPPGBYCH-UHFFFAOYSA-N
XLogP0.25
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine
CID 114613052
1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
CID 114678175
4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63605128
(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)methanamine
CID 114613060
N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline
CID 63605307
[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)-2-pyridinyl]methanamine
CID 114613483
2-[4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylphenyl]acetonitrile
CID 79203535
methyl N-[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]carbamate
CID 114613701
2-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline
CID 63604949
1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 63616216
1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol
CID 103355759
1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine
CID 103300086

Frequently Asked Questions

What is the IUPAC name of [5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine?
The IUPAC name of [5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine (CID 114613509) is [5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine?
The canonical SMILES for [5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine is CCN1CCN(S(=O)(=O)c2ccc(CN)nc2)CC1C.
What is the InChIKey of [5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine?
The InChIKey is ZSMIYSGPPGBYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-16-6-7-17(10-11(16)2)20(18,19)13-5-4-12(8-14)15-9-13/h4-5,9,11H,3,6-8,10,14H2,1-2H3.
What are the key properties of [5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine?
[5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine has a molecular weight of 298.41 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine is sourced from PubChem (CID 114613509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).