1-methyl-N-(2-methyl-2-methylsulfonylpropyl)imidazol-2-amine

C9H17N3O2S — CID 79561930

IUPAC1-methyl-N-(2-methyl-2-methylsulfonylpropyl)imidazol-2-amine
SMILESCn1ccnc1NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H17N3O2S/c1-9(2,15(4,13)14)7-11-8-10-5-6-12(8)3/h5-6H,7H2,1-4H3,(H,10,11)
InChIKeyLIONSPBTAFLIKI-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.66
Rot. Bonds4

About 1-methyl-N-(2-methyl-2-methylsulfonylpropyl)imidazol-2-amine

1-methyl-N-(2-methyl-2-methylsulfonylpropyl)imidazol-2-amine (PubChem CID 79561930) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-2-methylsulfonylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-2-methylsulfonylpropyl)imidazol-2-amine
PubChem CID79561930
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name1-methyl-N-(2-methyl-2-methylsulfonylpropyl)imidazol-2-amine
SMILESCn1ccnc1NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H17N3O2S/c1-9(2,15(4,13)14)7-11-8-10-5-6-12(8)3/h5-6H,7H2,1-4H3,(H,10,11)
InChIKeyLIONSPBTAFLIKI-UHFFFAOYSA-N
XLogP0.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-(2-methyl-2-methylsulfonylpropyl)imidazol-2-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

2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol
CID 65108978
1-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine
CID 83143894
2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide
CID 62133098
N-cyclopropyl-2-[(1-methylimidazol-2-yl)amino]acetamide
CID 62133099
N-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine
CID 79561473
N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide
CID 62133096
5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
CID 79563360
6-N-ethyl-8-N-(2-methyl-2-methylsulfonylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80837011
1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-amine
CID 106430806
N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine
CID 62133824
1-methyl-N-pentan-3-ylimidazol-2-amine
CID 62132399
1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine
CID 130935235

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-2-methylsulfonylpropyl)imidazol-2-amine?
The IUPAC name of 1-methyl-N-(2-methyl-2-methylsulfonylpropyl)imidazol-2-amine (CID 79561930) is 1-methyl-N-(2-methyl-2-methylsulfonylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-methyl-N-(2-methyl-2-methylsulfonylpropyl)imidazol-2-amine?
The canonical SMILES for 1-methyl-N-(2-methyl-2-methylsulfonylpropyl)imidazol-2-amine is Cn1ccnc1NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 1-methyl-N-(2-methyl-2-methylsulfonylpropyl)imidazol-2-amine?
The InChIKey is LIONSPBTAFLIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-9(2,15(4,13)14)7-11-8-10-5-6-12(8)3/h5-6H,7H2,1-4H3,(H,10,11).
What are the key properties of 1-methyl-N-(2-methyl-2-methylsulfonylpropyl)imidazol-2-amine?
1-methyl-N-(2-methyl-2-methylsulfonylpropyl)imidazol-2-amine has a molecular weight of 231.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-2-methylsulfonylpropyl)imidazol-2-amine is sourced from PubChem (CID 79561930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).