[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine

C11H20N4O2S — CID 62064992

IUPAC[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
SMILESCCn1cc(S(=O)(=O)N2CCC(CN)C2)nc1C
InChIInChI=1S/C11H20N4O2S/c1-3-14-8-11(13-9(14)2)18(16,17)15-5-4-10(6-12)7-15/h8,10H,3-7,12H2,1-2H3
InChIKeyLLPBUGMGEWJSNP-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.18
Rot. Bonds4

About [1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine

[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine (PubChem CID 62064992) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is [1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
PubChem CID62064992
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
SMILESCCn1cc(S(=O)(=O)N2CCC(CN)C2)nc1C
InChIInChI=1S/C11H20N4O2S/c1-3-14-8-11(13-9(14)2)18(16,17)15-5-4-10(6-12)7-15/h8,10H,3-7,12H2,1-2H3
InChIKeyLLPBUGMGEWJSNP-UHFFFAOYSA-N
XLogP0.18
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol
CID 62066251
2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol
CID 62357127
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-2-methyl-1-propylimidazole
CID 63400626
(3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol
CID 79409931
(3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine
CID 104974999
1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 77041861
1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanone
CID 63846427
1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperazine
CID 63873088
1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine
CID 62065706
methyl (3S)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 115536277
2-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine;hydrochloride
CID 120583929
1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine
CID 107070823

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine (CID 62064992) is [1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine is CCn1cc(S(=O)(=O)N2CCC(CN)C2)nc1C.
What is the InChIKey of [1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine?
The InChIKey is LLPBUGMGEWJSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-3-14-8-11(13-9(14)2)18(16,17)15-5-4-10(6-12)7-15/h8,10H,3-7,12H2,1-2H3.
What are the key properties of [1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine?
[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine has a molecular weight of 272.37 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62064992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).