1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine

C11H21N5O2S — CID 114542823

IUPAC1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine
SMILESCC1CN(S(=O)(=O)c2c(N)ncn2C)CC(C)N1C
InChIInChI=1S/C11H21N5O2S/c1-8-5-16(6-9(2)15(8)4)19(17,18)11-10(12)13-7-14(11)3/h7-9H,5-6,12H2,1-4H3
InChIKeyCRQGUTAUYDKUQG-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.28
Rot. Bonds2

About 1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine

1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine (PubChem CID 114542823) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine
PubChem CID114542823
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine
SMILESCC1CN(S(=O)(=O)c2c(N)ncn2C)CC(C)N1C
InChIInChI=1S/C11H21N5O2S/c1-8-5-16(6-9(2)15(8)4)19(17,18)11-10(12)13-7-14(11)3/h7-9H,5-6,12H2,1-4H3
InChIKeyCRQGUTAUYDKUQG-UHFFFAOYSA-N
XLogP-0.28
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine 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

4-Amino-1-methyl-1H-imidazole-5-sulfonamide
CID 279492
1-(5-Chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperazine
CID 35287935
1-(5-Chloro-1-methylimidazol-4-yl)sulfonyl-4-ethylpiperazine
CID 43415123
1-(5-Chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine
CID 43415221
1-[(5-Chloro-1-methyl-1H-imidazol-4-yl)sulfonyl]-4-(1-methylethyl)piperazine
CID 43421729
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43430604
5-Amino-3-methylimidazole-4-sulfonamide;hydrochloride
CID 54599459
5-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63977746
1-Methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylimidazol-4-amine
CID 63978703
5-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63978886
5-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63979466
5-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63979673

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine?
The IUPAC name of 1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine (CID 114542823) is 1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine.
What is the SMILES notation for 1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine?
The canonical SMILES for 1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine is CC1CN(S(=O)(=O)c2c(N)ncn2C)CC(C)N1C.
What is the InChIKey of 1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine?
The InChIKey is CRQGUTAUYDKUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-8-5-16(6-9(2)15(8)4)19(17,18)11-10(12)13-7-14(11)3/h7-9H,5-6,12H2,1-4H3.
What are the key properties of 1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine?
1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine has a molecular weight of 287.39 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine is sourced from PubChem (CID 114542823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).