[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-2-yl]methanamine

C12H21N3O3S — CID 103441474

IUPAC[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-2-yl]methanamine
SMILESCc1cc(CS(=O)(=O)N2CCC(C)CC2CN)no1
InChIInChI=1S/C12H21N3O3S/c1-9-3-4-15(12(5-9)7-13)19(16,17)8-11-6-10(2)18-14-11/h6,9,12H,3-5,7-8,13H2,1-2H3
InChIKeyMTOMTGNCGRMTJM-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.87
Rot. Bonds4

About [4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-2-yl]methanamine

[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-2-yl]methanamine (PubChem CID 103441474) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is [4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-2-yl]methanamine
PubChem CID103441474
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-2-yl]methanamine
SMILESCc1cc(CS(=O)(=O)N2CCC(C)CC2CN)no1
InChIInChI=1S/C12H21N3O3S/c1-9-3-4-15(12(5-9)7-13)19(16,17)8-11-6-10(2)18-14-11/h6,9,12H,3-5,7-8,13H2,1-2H3
InChIKeyMTOMTGNCGRMTJM-UHFFFAOYSA-N
XLogP0.87
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-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

4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidine-2-carboxylic acid
CID 114422160
1-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]propan-2-ol
CID 79546818
4-ethyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidine-2-carboxylic acid
CID 114427464
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine
CID 103576249
[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol
CID 62371531
[4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine
CID 103441395
[1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
CID 103441530
2-[4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperazin-1-yl]ethanol
CID 43501424
5-methyl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-oxazole
CID 62274428
[4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 103441467
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine
CID 80552473
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propan-1-one
CID 94828313

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-2-yl]methanamine (CID 103441474) is [4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-2-yl]methanamine is Cc1cc(CS(=O)(=O)N2CCC(C)CC2CN)no1.
What is the InChIKey of [4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-2-yl]methanamine?
The InChIKey is MTOMTGNCGRMTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-9-3-4-15(12(5-9)7-13)19(16,17)8-11-6-10(2)18-14-11/h6,9,12H,3-5,7-8,13H2,1-2H3.
What are the key properties of [4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-2-yl]methanamine?
[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-2-yl]methanamine has a molecular weight of 287.38 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 103441474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).