1-(1H-benzimidazol-2-yl)-N-(ethylsulfamoyl)ethanamine

C11H16N4O2S — CID 115638399

IUPAC1-(1H-benzimidazol-2-yl)-N-(ethylsulfamoyl)ethanamine
SMILESCCNS(=O)(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C11H16N4O2S/c1-3-12-18(16,17)15-8(2)11-13-9-6-4-5-7-10(9)14-11/h4-8,12,15H,3H2,1-2H3,(H,13,14)
InChIKeyLIASSQRJRMFGJB-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.07
Rot. Bonds5

About 1-(1H-benzimidazol-2-yl)-N-(ethylsulfamoyl)ethanamine

1-(1H-benzimidazol-2-yl)-N-(ethylsulfamoyl)ethanamine (PubChem CID 115638399) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-(ethylsulfamoyl)ethanamine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-(ethylsulfamoyl)ethanamine
PubChem CID115638399
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name1-(1H-benzimidazol-2-yl)-N-(ethylsulfamoyl)ethanamine
SMILESCCNS(=O)(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C11H16N4O2S/c1-3-12-18(16,17)15-8(2)11-13-9-6-4-5-7-10(9)14-11/h4-8,12,15H,3H2,1-2H3,(H,13,14)
InChIKeyLIASSQRJRMFGJB-UHFFFAOYSA-N
XLogP1.07
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
CID 62669154
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide
CID 62669156
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
2-propan-2-yl-1H-benzimidazole
CID 22121
N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine
CID 55104728
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide
CID 115532400
2-[1-(1H-benzimidazol-2-yl)ethylamino]propanoic acid
CID 66173148
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-(ethylsulfamoyl)ethanamine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-(ethylsulfamoyl)ethanamine (CID 115638399) is 1-(1H-benzimidazol-2-yl)-N-(ethylsulfamoyl)ethanamine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-(ethylsulfamoyl)ethanamine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-(ethylsulfamoyl)ethanamine is CCNS(=O)(=O)NC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-(ethylsulfamoyl)ethanamine?
The InChIKey is LIASSQRJRMFGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-3-12-18(16,17)15-8(2)11-13-9-6-4-5-7-10(9)14-11/h4-8,12,15H,3H2,1-2H3,(H,13,14).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-(ethylsulfamoyl)ethanamine?
1-(1H-benzimidazol-2-yl)-N-(ethylsulfamoyl)ethanamine has a molecular weight of 268.34 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-(ethylsulfamoyl)ethanamine is sourced from PubChem (CID 115638399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).