N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide

C12H24N4O2S — CID 115365923

IUPACN-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(C)(C)CN)nc1C
InChIInChI=1S/C12H24N4O2S/c1-5-6-16-7-11(15-10(16)2)19(17,18)14-9-12(3,4)8-13/h7,14H,5-6,8-9,13H2,1-4H3
InChIKeyBOAVINDSKJBETG-UHFFFAOYSA-N
MW288.42 g/mol
LogP0.86
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide

N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 115365923) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID115365923
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(C)(C)CN)nc1C
InChIInChI=1S/C12H24N4O2S/c1-5-6-16-7-11(15-10(16)2)19(17,18)14-9-12(3,4)8-13/h7,14H,5-6,8-9,13H2,1-4H3
InChIKeyBOAVINDSKJBETG-UHFFFAOYSA-N
XLogP0.86
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-2,2-dimethylpropyl)-2-methyl-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-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 106143878
2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
CID 64592125
N-(4-chloro-2,2-dimethylbutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 106145989
N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 107155350
N-(2-bromoethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62064291
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157
N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 114295175
N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 63765092
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365860
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115456592
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 114758603
2-methyl-N-(2-methylpropoxy)-1-propylimidazole-4-sulfonamide
CID 82714897

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide (CID 115365923) is N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCC(C)(C)CN)nc1C.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is BOAVINDSKJBETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-5-6-16-7-11(15-10(16)2)19(17,18)14-9-12(3,4)8-13/h7,14H,5-6,8-9,13H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide?
N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 0.86, 7 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-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 115365923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).