ethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide

C15H28N4O2S — CID 145106847

IUPACethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide
SMILESCC.Cc1cncc(NS(=O)(=O)CCN2CCN(C)CC2)c1
InChIInChI=1S/C13H22N4O2S.C2H6/c1-12-9-13(11-14-10-12)15-20(18,19)8-7-17-5-3-16(2)4-6-17;1-2/h9-11,15H,3-8H2,1-2H3;1-2H3
InChIKeyCHZWXTGCCTXMCU-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.41
Rot. Bonds5

About ethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide

ethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide (PubChem CID 145106847) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is ethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound Nameethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide
PubChem CID145106847
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC Nameethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide
SMILESCC.Cc1cncc(NS(=O)(=O)CCN2CCN(C)CC2)c1
InChIInChI=1S/C13H22N4O2S.C2H6/c1-12-9-13(11-14-10-12)15-20(18,19)8-7-17-5-3-16(2)4-6-17;1-2/h9-11,15H,3-8H2,1-2H3;1-2H3
InChIKeyCHZWXTGCCTXMCU-UHFFFAOYSA-N
XLogP1.41
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-N-(5-methyl-3-pyridinyl)ethanesulfonamide;ethane
CID 145106836
2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid
CID 107584611
3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide
CID 106088035
ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide
CID 143921222
ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine
CID 143962339
2-(4-aminophenoxy)-N-(5-methyl-3-pyridinyl)ethanesulfonamide
CID 107584551
N-(2-chloro-5-methyl-3-pyridinyl)-2-morpholin-4-ylethanesulfonamide
CID 121427558
5-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine
CID 107584900
3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 107586068
1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106087966
1-(2-chlorophenyl)-N-(5-methyl-3-pyridinyl)methanesulfonamide
CID 110727363
1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106087991

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide?
The IUPAC name of ethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide (CID 145106847) is ethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide.
What is the SMILES notation for ethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide?
The canonical SMILES for ethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide is CC.Cc1cncc(NS(=O)(=O)CCN2CCN(C)CC2)c1.
What is the InChIKey of ethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide?
The InChIKey is CHZWXTGCCTXMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S.C2H6/c1-12-9-13(11-14-10-12)15-20(18,19)8-7-17-5-3-16(2)4-6-17;1-2/h9-11,15H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide?
ethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide has a molecular weight of 328.48 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 145106847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).