[1-(1-ethylimidazol-4-yl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride

C11H21ClN4O2S — CID 120582073

IUPAC[1-(1-ethylimidazol-4-yl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCn1cnc(S(=O)(=O)N2CC(CN)CC2C)c1.Cl
InChIInChI=1S/C11H20N4O2S.ClH/c1-3-14-7-11(13-8-14)18(16,17)15-6-10(5-12)4-9(15)2;/h7-10H,3-6,12H2,1-2H3;1H
InChIKeyZGJUTHPEORBDBH-UHFFFAOYSA-N
MW308.84 g/mol
LogP0.68
Rot. Bonds4

About [1-(1-ethylimidazol-4-yl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-(1-ethylimidazol-4-yl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120582073) has the molecular formula C11H21ClN4O2S and a molecular weight of 308.84 g/mol. Its IUPAC name is [1-(1-ethylimidazol-4-yl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(1-ethylimidazol-4-yl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120582073
Molecular FormulaC11H21ClN4O2S
Molecular Weight308.84 g/mol
Exact Mass308.11
IUPAC Name[1-(1-ethylimidazol-4-yl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCn1cnc(S(=O)(=O)N2CC(CN)CC2C)c1.Cl
InChIInChI=1S/C11H20N4O2S.ClH/c1-3-14-7-11(13-8-14)18(16,17)15-6-10(5-12)4-9(15)2;/h7-10H,3-6,12H2,1-2H3;1H
InChIKeyZGJUTHPEORBDBH-UHFFFAOYSA-N
XLogP0.68
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-ethylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 79372612
1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-2-amine
CID 79372688
[5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582258
(3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 97048201
1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959743
2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine
CID 114802284
[1-(4-ethoxyphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582144
1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422076
[5-methyl-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582130
[1-(4-bromophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582271
(2R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 79373542
[5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582216

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylimidazol-4-yl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(1-ethylimidazol-4-yl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120582073) is [1-(1-ethylimidazol-4-yl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(1-ethylimidazol-4-yl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(1-ethylimidazol-4-yl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride is CCn1cnc(S(=O)(=O)N2CC(CN)CC2C)c1.Cl.
What is the InChIKey of [1-(1-ethylimidazol-4-yl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is ZGJUTHPEORBDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S.ClH/c1-3-14-7-11(13-8-14)18(16,17)15-6-10(5-12)4-9(15)2;/h7-10H,3-6,12H2,1-2H3;1H.
What are the key properties of [1-(1-ethylimidazol-4-yl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-(1-ethylimidazol-4-yl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 308.84 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylimidazol-4-yl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120582073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).