N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide

C13H23N3O2S — CID 106084907

IUPACN-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(C)C2CCC2)c[nH]1
InChIInChI=1S/C13H23N3O2S/c1-3-14-8-12-7-13(9-15-12)19(17,18)16-10(2)11-5-4-6-11/h7,9-11,14-16H,3-6,8H2,1-2H3
InChIKeyDKJBKZLWPDQJEE-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.59
Rot. Bonds7

About N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide

N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106084907) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106084907
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(C)C2CCC2)c[nH]1
InChIInChI=1S/C13H23N3O2S/c1-3-14-8-12-7-13(9-15-12)19(17,18)16-10(2)11-5-4-6-11/h7,9-11,14-16H,3-6,8H2,1-2H3
InChIKeyDKJBKZLWPDQJEE-UHFFFAOYSA-N
XLogP1.59
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 114142335
5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106092051
5-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114142080
5-(ethylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 106050955
5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide
CID 106068793
N-[[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine
CID 104969117
N-[[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methyl]ethanamine
CID 115562900
5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide
CID 114141138
N-(2,2-dimethylcyclopentyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106071089
5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106022937
5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106061783
N-(3,5-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106058974

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide (CID 106084907) is N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)NC(C)C2CCC2)c[nH]1.
What is the InChIKey of N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is DKJBKZLWPDQJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-14-8-12-7-13(9-15-12)19(17,18)16-10(2)11-5-4-6-11/h7,9-11,14-16H,3-6,8H2,1-2H3.
What are the key properties of N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide?
N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106084907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).