[4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]methanamine

C11H20N4O2S — CID 103441502

IUPAC[4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2cn(C)cn2)C(CN)C1
InChIInChI=1S/C11H20N4O2S/c1-9-3-4-15(10(5-9)6-12)18(16,17)11-7-14(2)8-13-11/h7-10H,3-6,12H2,1-2H3
InChIKeyYNKDDHXUIZYWHB-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.17
Rot. Bonds3

About [4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]methanamine

[4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]methanamine (PubChem CID 103441502) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is [4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]methanamine
PubChem CID103441502
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name[4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2cn(C)cn2)C(CN)C1
InChIInChI=1S/C11H20N4O2S/c1-9-3-4-15(10(5-9)6-12)18(16,17)11-7-14(2)8-13-11/h7-10H,3-6,12H2,1-2H3
InChIKeyYNKDDHXUIZYWHB-UHFFFAOYSA-N
XLogP0.17
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]methanamine 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-(2-bromoethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 80671908
[4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 103441467
N,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
CID 127245167
[1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
CID 103441530
[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
(2S)-2-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120717155
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-2-yl]methanamine
CID 103441557
(2S,3R)-1-(1-methylimidazol-4-yl)sulfonyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 97470243
1-(1-methylimidazol-4-yl)sulfonyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 71997276
[1-(2,5-difluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
CID 103441489
1-(1-ethylimidazol-4-yl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422076
2-methyl-3-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-amine
CID 62375599

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]methanamine (CID 103441502) is [4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]methanamine is CC1CCN(S(=O)(=O)c2cn(C)cn2)C(CN)C1.
What is the InChIKey of [4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]methanamine?
The InChIKey is YNKDDHXUIZYWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-9-3-4-15(10(5-9)6-12)18(16,17)11-7-14(2)8-13-11/h7-10H,3-6,12H2,1-2H3.
What are the key properties of [4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]methanamine?
[4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]methanamine has a molecular weight of 272.37 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103441502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).