1-(1-methylimidazol-2-yl)sulfonylethanamine;hydrochloride

C6H12ClN3O2S — CID 22018176

IUPAC1-(1-methylimidazol-2-yl)sulfonylethanamine;hydrochloride
SMILESCC(N)S(=O)(=O)c1nccn1C.Cl
InChIInChI=1S/C6H11N3O2S.ClH/c1-5(7)12(10,11)6-8-3-4-9(6)2;/h3-5H,7H2,1-2H3;1H
InChIKeyVQGRRYWIXFWIOM-UHFFFAOYSA-N
MW225.70 g/mol
LogP-0.08
Rot. Bonds2

About 1-(1-methylimidazol-2-yl)sulfonylethanamine;hydrochloride

1-(1-methylimidazol-2-yl)sulfonylethanamine;hydrochloride (PubChem CID 22018176) has the molecular formula C6H12ClN3O2S and a molecular weight of 225.70 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)sulfonylethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)sulfonylethanamine;hydrochloride
PubChem CID22018176
Molecular FormulaC6H12ClN3O2S
Molecular Weight225.70 g/mol
Exact Mass225.03
IUPAC Name1-(1-methylimidazol-2-yl)sulfonylethanamine;hydrochloride
SMILESCC(N)S(=O)(=O)c1nccn1C.Cl
InChIInChI=1S/C6H11N3O2S.ClH/c1-5(7)12(10,11)6-8-3-4-9(6)2;/h3-5H,7H2,1-2H3;1H
InChIKeyVQGRRYWIXFWIOM-UHFFFAOYSA-N
XLogP-0.08
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methylimidazole-2-sulfonic acid;hydrochloride
CID 174969416
(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride
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(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
N-ethyl-1-methylimidazole-2-sulfonamide
CID 130916931
N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)sulfonylpropanamide
CID 47417604
1-methyl-2-(2,4,6-trimethylphenyl)sulfonylimidazole
CID 70402886
4-(1-methylimidazol-2-yl)sulfonylbutanenitrile
CID 75499829
N-[ethyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride
CID 125425011
N,N-dimethyl-3-(1-methylimidazol-2-yl)sulfonylpropan-1-amine
CID 141130547
1-(1-methylimidazol-2-yl)sulfonyloxybutane-1-sulfonic acid
CID 141389232
1-(1-methylimidazol-2-yl)-2-methylsulfonylpropan-1-one
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CID 116551768

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)sulfonylethanamine;hydrochloride?
The IUPAC name of 1-(1-methylimidazol-2-yl)sulfonylethanamine;hydrochloride (CID 22018176) is 1-(1-methylimidazol-2-yl)sulfonylethanamine;hydrochloride.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)sulfonylethanamine;hydrochloride?
The canonical SMILES for 1-(1-methylimidazol-2-yl)sulfonylethanamine;hydrochloride is CC(N)S(=O)(=O)c1nccn1C.Cl.
What is the InChIKey of 1-(1-methylimidazol-2-yl)sulfonylethanamine;hydrochloride?
The InChIKey is VQGRRYWIXFWIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S.ClH/c1-5(7)12(10,11)6-8-3-4-9(6)2;/h3-5H,7H2,1-2H3;1H.
What are the key properties of 1-(1-methylimidazol-2-yl)sulfonylethanamine;hydrochloride?
1-(1-methylimidazol-2-yl)sulfonylethanamine;hydrochloride has a molecular weight of 225.70 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)sulfonylethanamine;hydrochloride is sourced from PubChem (CID 22018176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).