N-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide

C13H22BrN3O2S — CID 80674891

IUPACN-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)CC2CC(Br)C2)nc1C
InChIInChI=1S/C13H22BrN3O2S/c1-4-5-17-9-13(15-10(17)2)20(18,19)16(3)8-11-6-12(14)7-11/h9,11-12H,4-8H2,1-3H3
InChIKeyNTJNUOROTGXQFT-UHFFFAOYSA-N
MW364.31 g/mol
LogP2.40
Rot. Bonds6

About N-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide

N-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide (PubChem CID 80674891) has the molecular formula C13H22BrN3O2S and a molecular weight of 364.31 g/mol. Its IUPAC name is N-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide
PubChem CID80674891
Molecular FormulaC13H22BrN3O2S
Molecular Weight364.31 g/mol
Exact Mass363.06
IUPAC NameN-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)CC2CC(Br)C2)nc1C
InChIInChI=1S/C13H22BrN3O2S/c1-4-5-17-9-13(15-10(17)2)20(18,19)16(3)8-11-6-12(14)7-11/h9,11-12H,4-8H2,1-3H3
InChIKeyNTJNUOROTGXQFT-UHFFFAOYSA-N
XLogP2.40
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 63396389
N-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62064623
N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide
CID 64591736
N-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62066991
N-(2-chloro-3-methoxypropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 63400494
N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 55030774
N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62062481
N'-hydroxy-2-methyl-3-[methyl-(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanimidamide
CID 76933289
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-2-methyl-1-propylimidazole
CID 63400626
1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one
CID 55030484
N-(2-aminophenyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62061953
3-[cyclopropyl-(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanethioamide
CID 62066992

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide (CID 80674891) is N-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)CC2CC(Br)C2)nc1C.
What is the InChIKey of N-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
The InChIKey is NTJNUOROTGXQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O2S/c1-4-5-17-9-13(15-10(17)2)20(18,19)16(3)8-11-6-12(14)7-11/h9,11-12H,4-8H2,1-3H3.
What are the key properties of N-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
N-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide has a molecular weight of 364.31 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 80674891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).