2-[(2S)-1-cyclohexylsulfonylpiperidin-2-yl]-5-methyl-1,3-oxazole-4-carboxylic acid

C16H24N2O5S — CID 166545273

IUPAC2-[(2S)-1-cyclohexylsulfonylpiperidin-2-yl]-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc([C@@H]2CCCCN2S(=O)(=O)C2CCCCC2)nc1C(=O)O
InChIInChI=1S/C16H24N2O5S/c1-11-14(16(19)20)17-15(23-11)13-9-5-6-10-18(13)24(21,22)12-7-3-2-4-8-12/h12-13H,2-10H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyYCIZDSNNHUQRPT-ZDUSSCGKSA-N
MW356.44 g/mol
LogP2.87
Rot. Bonds4

About 2-[(2S)-1-cyclohexylsulfonylpiperidin-2-yl]-5-methyl-1,3-oxazole-4-carboxylic acid

2-[(2S)-1-cyclohexylsulfonylpiperidin-2-yl]-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 166545273) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-[(2S)-1-cyclohexylsulfonylpiperidin-2-yl]-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2S)-1-cyclohexylsulfonylpiperidin-2-yl]-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID166545273
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name2-[(2S)-1-cyclohexylsulfonylpiperidin-2-yl]-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc([C@@H]2CCCCN2S(=O)(=O)C2CCCCC2)nc1C(=O)O
InChIInChI=1S/C16H24N2O5S/c1-11-14(16(19)20)17-15(23-11)13-9-5-6-10-18(13)24(21,22)12-7-3-2-4-8-12/h12-13H,2-10H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyYCIZDSNNHUQRPT-ZDUSSCGKSA-N
XLogP2.87
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid
CID 10851449
5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid
CID 85274193
(2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid
CID 61137595
5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid
CID 146154991
2-(1-cyclohexylsulfonylpyrrolidin-2-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 110217624
1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid
CID 105360669
6-[(2R)-1-cyclohexylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-4-amine
CID 124983194
2-methyl-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 95841554
2-[(2S)-1-cyclohexylsulfonylpyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 95849941
methyl 5-methyl-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,3-oxazole-4-carboxylate
CID 10542976
1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one
CID 99786176
methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate
CID 79033025

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-cyclohexylsulfonylpiperidin-2-yl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(2S)-1-cyclohexylsulfonylpiperidin-2-yl]-5-methyl-1,3-oxazole-4-carboxylic acid (CID 166545273) is 2-[(2S)-1-cyclohexylsulfonylpiperidin-2-yl]-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2S)-1-cyclohexylsulfonylpiperidin-2-yl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(2S)-1-cyclohexylsulfonylpiperidin-2-yl]-5-methyl-1,3-oxazole-4-carboxylic acid is Cc1oc([C@@H]2CCCCN2S(=O)(=O)C2CCCCC2)nc1C(=O)O.
What is the InChIKey of 2-[(2S)-1-cyclohexylsulfonylpiperidin-2-yl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is YCIZDSNNHUQRPT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-11-14(16(19)20)17-15(23-11)13-9-5-6-10-18(13)24(21,22)12-7-3-2-4-8-12/h12-13H,2-10H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 2-[(2S)-1-cyclohexylsulfonylpiperidin-2-yl]-5-methyl-1,3-oxazole-4-carboxylic acid?
2-[(2S)-1-cyclohexylsulfonylpiperidin-2-yl]-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 356.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-cyclohexylsulfonylpiperidin-2-yl]-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 166545273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).