5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide

C14H21N3O2S2 — CID 79489710

IUPAC5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)N(C)CCc2cccs2)c[nH]1
InChIInChI=1S/C14H21N3O2S2/c1-3-15-10-12-9-14(11-16-12)21(18,19)17(2)7-6-13-5-4-8-20-13/h4-5,8-9,11,15-16H,3,6-7,10H2,1-2H3
InChIKeyKAPIYTKOFUFNJY-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.05
Rot. Bonds8

About 5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide

5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 79489710) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide
PubChem CID79489710
Molecular FormulaC14H21N3O2S2
Molecular Weight327.48 g/mol
Exact Mass327.11
IUPAC Name5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)N(C)CCc2cccs2)c[nH]1
InChIInChI=1S/C14H21N3O2S2/c1-3-15-10-12-9-14(11-16-12)21(18,19)17(2)7-6-13-5-4-8-20-13/h4-5,8-9,11,15-16H,3,6-7,10H2,1-2H3
InChIKeyKAPIYTKOFUFNJY-UHFFFAOYSA-N
XLogP2.05
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzenecarbothioamide
CID 79491705
3-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79488125
3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79475968
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 79488304
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79494682
3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733478
N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 79489921
N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733501
5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 79493978
5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 114132189
4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid
CID 146121375
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide
CID 79488126

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide (CID 79489710) is 5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)N(C)CCc2cccs2)c[nH]1.
What is the InChIKey of 5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is KAPIYTKOFUFNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c1-3-15-10-12-9-14(11-16-12)21(18,19)17(2)7-6-13-5-4-8-20-13/h4-5,8-9,11,15-16H,3,6-7,10H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide?
5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 327.48 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 79489710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).