N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide

C11H20N4O2S — CID 55030774

IUPACN-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC2CC(N)C2)nc1C
InChIInChI=1S/C11H20N4O2S/c1-3-4-15-7-11(13-8(15)2)18(16,17)14-10-5-9(12)6-10/h7,9-10,14H,3-6,12H2,1-2H3
InChIKeySKEZSGWUYRNEMU-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.37
Rot. Bonds5

About N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide

N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 55030774) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID55030774
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC2CC(N)C2)nc1C
InChIInChI=1S/C11H20N4O2S/c1-3-4-15-7-11(13-8(15)2)18(16,17)14-10-5-9(12)6-10/h7,9-10,14H,3-6,12H2,1-2H3
InChIKeySKEZSGWUYRNEMU-UHFFFAOYSA-N
XLogP0.37
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62064635
3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66032749
N-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 106136076
N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64591191
N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 106364611
N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 63765092
N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 104981934
N-(2-bromoethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62064291
2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
CID 64592125
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157
N-(4-aminocyclohexyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62063676
N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365923

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide (CID 55030774) is N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NC2CC(N)C2)nc1C.
What is the InChIKey of N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is SKEZSGWUYRNEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-3-4-15-7-11(13-8(15)2)18(16,17)14-10-5-9(12)6-10/h7,9-10,14H,3-6,12H2,1-2H3.
What are the key properties of N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide?
N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 55030774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).