5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide

C12H22N4O2S2 — CID 106075483

IUPAC5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NN2CCN(C)CC2)s1
InChIInChI=1S/C12H22N4O2S2/c1-3-13-10-11-4-5-12(19-11)20(17,18)14-16-8-6-15(2)7-9-16/h4-5,13-14H,3,6-10H2,1-2H3
InChIKeyJLPMMFOAYVORPU-UHFFFAOYSA-N
MW318.47 g/mol
LogP0.30
Rot. Bonds6

About 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide

5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide (PubChem CID 106075483) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
PubChem CID106075483
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC Name5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NN2CCN(C)CC2)s1
InChIInChI=1S/C12H22N4O2S2/c1-3-13-10-11-4-5-12(19-11)20(17,18)14-16-8-6-15(2)7-9-16/h4-5,13-14H,3,6-10H2,1-2H3
InChIKeyJLPMMFOAYVORPU-UHFFFAOYSA-N
XLogP0.30
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074733
5-cyano-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
CID 106268836
N-[[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]methyl]ethanamine
CID 114414158
N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106066943
N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106061370
N-(3,3-dimethylbutan-2-yl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106079092
5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide
CID 106075562
N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106023200
5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid
CID 78913710
5-(ethylaminomethyl)-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide
CID 106077013
5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106078061
5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055612

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide (CID 106075483) is 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NN2CCN(C)CC2)s1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide?
The InChIKey is JLPMMFOAYVORPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-3-13-10-11-4-5-12(19-11)20(17,18)14-16-8-6-15(2)7-9-16/h4-5,13-14H,3,6-10H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide?
5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide has a molecular weight of 318.47 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106075483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).