N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine

C12H17N3O2S — CID 120970051

IUPACN-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17N3O2S/c1-15-9-7-13-12(15)14-8-10-18(16,17)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,14)
InChIKeyUGZFOZZPUYBWJB-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.35
Rot. Bonds4

About N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120970051) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120970051
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17N3O2S/c1-15-9-7-13-12(15)14-8-10-18(16,17)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,14)
InChIKeyUGZFOZZPUYBWJB-UHFFFAOYSA-N
XLogP0.35
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120970051) is N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCCS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is UGZFOZZPUYBWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-15-9-7-13-12(15)14-8-10-18(16,17)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,14).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 267.35 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120970051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).