3-methyl-5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole

C15H20N2O3S2 — CID 53079270

IUPAC3-methyl-5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
SMILESCc1cc(-c2cc(S(=O)(=O)N3CCCCC3C)c(C)s2)on1
InChIInChI=1S/C15H20N2O3S2/c1-10-8-13(20-16-10)14-9-15(12(3)21-14)22(18,19)17-7-5-4-6-11(17)2/h8-9,11H,4-7H2,1-3H3
InChIKeyCIVIUJSUMQQBGC-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.58
Rot. Bonds3

About 3-methyl-5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole

3-methyl-5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole (PubChem CID 53079270) has the molecular formula C15H20N2O3S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-methyl-5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
PubChem CID53079270
Molecular FormulaC15H20N2O3S2
Molecular Weight340.47 g/mol
Exact Mass340.09
IUPAC Name3-methyl-5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
SMILESCc1cc(-c2cc(S(=O)(=O)N3CCCCC3C)c(C)s2)on1
InChIInChI=1S/C15H20N2O3S2/c1-10-8-13(20-16-10)14-9-15(12(3)21-14)22(18,19)17-7-5-4-6-11(17)2/h8-9,11H,4-7H2,1-3H3
InChIKeyCIVIUJSUMQQBGC-UHFFFAOYSA-N
XLogP3.58
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822086
3-methyl-5-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,2-oxazole
CID 95073599
1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine
CID 3758298
[(4aS,8aS)-7-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl-1,2,3,4,5,6,8,8a-octahydro-1,7-naphthyridin-4a-yl]methanol;hydrochloride
CID 154918071
1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine
CID 66485991
5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 62805389
N-(3,5-dimethylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079297
6-[4-(2-ethylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-2-methylpyridazin-3-one
CID 50842583
1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine
CID 2873404
1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine
CID 126823017
[3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine
CID 26585324
1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine
CID 5025166

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole (CID 53079270) is 3-methyl-5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole is Cc1cc(-c2cc(S(=O)(=O)N3CCCCC3C)c(C)s2)on1.
What is the InChIKey of 3-methyl-5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
The InChIKey is CIVIUJSUMQQBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S2/c1-10-8-13(20-16-10)14-9-15(12(3)21-14)22(18,19)17-7-5-4-6-11(17)2/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 3-methyl-5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
3-methyl-5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole has a molecular weight of 340.47 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole is sourced from PubChem (CID 53079270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).