4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide

C11H16N4O2S2 — CID 106069682

IUPAC4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)NCc2cnc[nH]2)c1
InChIInChI=1S/C11H16N4O2S2/c1-2-12-4-9-3-11(18-7-9)19(16,17)15-6-10-5-13-8-14-10/h3,5,7-8,12,15H,2,4,6H2,1H3,(H,13,14)
InChIKeyGNDLXZQNHWWZBJ-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.06
Rot. Bonds7

About 4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide

4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106069682) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide
PubChem CID106069682
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)NCc2cnc[nH]2)c1
InChIInChI=1S/C11H16N4O2S2/c1-2-12-4-9-3-11(18-7-9)19(16,17)15-6-10-5-13-8-14-10/h3,5,7-8,12,15H,2,4,6H2,1H3,(H,13,14)
InChIKeyGNDLXZQNHWWZBJ-UHFFFAOYSA-N
XLogP1.06
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378210
4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074851
4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106095026
2-(ethylaminomethyl)-5-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
CID 106069613
3-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)-4-methylbenzenesulfonamide
CID 106069649
4-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016288
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106378311
N-(2-ethoxy-2-methylpropyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106086773
4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106082258
N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106076005
4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide
CID 79356541
4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 106031006

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide (CID 106069682) is 4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide is CCNCc1csc(S(=O)(=O)NCc2cnc[nH]2)c1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is GNDLXZQNHWWZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-2-12-4-9-3-11(18-7-9)19(16,17)15-6-10-5-13-8-14-10/h3,5,7-8,12,15H,2,4,6H2,1H3,(H,13,14).
What are the key properties of 4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide?
4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106069682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).