N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide

C13H24N4O2S — CID 86801792

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1cn(C(C)C)cn1
InChIInChI=1S/C13H24N4O2S/c1-4-16-7-5-6-12(16)8-15-20(18,19)13-9-17(10-14-13)11(2)3/h9-12,15H,4-8H2,1-3H3
InChIKeyLGFQLUZOTAFPTO-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.23
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 86801792) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID86801792
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1cn(C(C)C)cn1
InChIInChI=1S/C13H24N4O2S/c1-4-16-7-5-6-12(16)8-15-20(18,19)13-9-17(10-14-13)11(2)3/h9-12,15H,4-8H2,1-3H3
InChIKeyLGFQLUZOTAFPTO-UHFFFAOYSA-N
XLogP1.23
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 71757215
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7-Ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane
CID 97392923
(3aR,6aS)-4-(1-methylimidazol-4-yl)sulfonyl-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97458869
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-amine dihydrochloride
CID 165943498
N-(1,1-dioxothiolan-3-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 2810678
1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazole-4-sulfonamide
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1-methyl-N-((1-(thiazol-2-yl)pyrrolidin-2-yl)methyl)-1H-imidazole-4-sulfonamide
CID 76148916
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-(1H-1,2,3-triazol-1-yl)piperidine
CID 76151030
1-isopropyl-N-(8-(methylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)-1H-imidazole-4-sulfonamide
CID 86265062
N-[1-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
CID 62373927
N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide (CID 86801792) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide is CCN1CCCC1CNS(=O)(=O)c1cn(C(C)C)cn1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is LGFQLUZOTAFPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-16-7-5-6-12(16)8-15-20(18,19)13-9-17(10-14-13)11(2)3/h9-12,15H,4-8H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 86801792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).