N-(3-amino-2,2-dimethylcyclobutyl)-1-ethylimidazole-4-sulfonamide

C11H20N4O2S — CID 114632560

IUPACN-(3-amino-2,2-dimethylcyclobutyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NC2CC(N)C2(C)C)c1
InChIInChI=1S/C11H20N4O2S/c1-4-15-6-10(13-7-15)18(16,17)14-9-5-8(12)11(9,2)3/h6-9,14H,4-5,12H2,1-3H3
InChIKeyIJIMXZQEAIEQFX-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.31
Rot. Bonds4

About N-(3-amino-2,2-dimethylcyclobutyl)-1-ethylimidazole-4-sulfonamide

N-(3-amino-2,2-dimethylcyclobutyl)-1-ethylimidazole-4-sulfonamide (PubChem CID 114632560) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)-1-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)-1-ethylimidazole-4-sulfonamide
PubChem CID114632560
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NC2CC(N)C2(C)C)c1
InChIInChI=1S/C11H20N4O2S/c1-4-15-6-10(13-7-15)18(16,17)14-9-5-8(12)11(9,2)3/h6-9,14H,4-5,12H2,1-3H3
InChIKeyIJIMXZQEAIEQFX-UHFFFAOYSA-N
XLogP0.31
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-1-ethylimidazole-4-sulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-1-ethylimidazole-4-sulfonamide (CID 114632560) is N-(3-amino-2,2-dimethylcyclobutyl)-1-ethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)-1-ethylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)-1-ethylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)NC2CC(N)C2(C)C)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)-1-ethylimidazole-4-sulfonamide?
The InChIKey is IJIMXZQEAIEQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-4-15-6-10(13-7-15)18(16,17)14-9-5-8(12)11(9,2)3/h6-9,14H,4-5,12H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylcyclobutyl)-1-ethylimidazole-4-sulfonamide?
N-(3-amino-2,2-dimethylcyclobutyl)-1-ethylimidazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylcyclobutyl)-1-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 114632560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).