1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine

C12H22N4O2S — CID 115316553

IUPAC1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
SMILESCCn1cc(S(=O)(=O)N2CCCC2CNC)nc1C
InChIInChI=1S/C12H22N4O2S/c1-4-15-9-12(14-10(15)2)19(17,18)16-7-5-6-11(16)8-13-3/h9,11,13H,4-8H2,1-3H3
InChIKeyUAMNQOGVZXBHGI-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.58
Rot. Bonds5

About 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine

1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 115316553) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
PubChem CID115316553
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
SMILESCCn1cc(S(=O)(=O)N2CCCC2CNC)nc1C
InChIInChI=1S/C12H22N4O2S/c1-4-15-9-12(14-10(15)2)19(17,18)16-7-5-6-11(16)8-13-3/h9,11,13H,4-8H2,1-3H3
InChIKeyUAMNQOGVZXBHGI-UHFFFAOYSA-N
XLogP0.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-1-ethyl-2-methylimidazole
CID 63400810
2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]acetic acid
CID 62065329
1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine
CID 107070823
1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
CID 63852803
[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol
CID 62066251
N-methyl-1-[1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119990922
1-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991008
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 63879468
1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 77041861
N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991169
N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991320
methyl (3S)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 115536277

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine (CID 115316553) is 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine is CCn1cc(S(=O)(=O)N2CCCC2CNC)nc1C.
What is the InChIKey of 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is UAMNQOGVZXBHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-15-9-12(14-10(15)2)19(17,18)16-7-5-6-11(16)8-13-3/h9,11,13H,4-8H2,1-3H3.
What are the key properties of 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 286.40 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 115316553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).