2-[(2S)-1-benzylsulfonylpiperidin-2-yl]-1,3-thiazole

C15H18N2O2S2 — CID 99817986

IUPAC2-[(2S)-1-benzylsulfonylpiperidin-2-yl]-1,3-thiazole
SMILESO=S(=O)(Cc1ccccc1)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C15H18N2O2S2/c18-21(19,12-13-6-2-1-3-7-13)17-10-5-4-8-14(17)15-16-9-11-20-15/h1-3,6-7,9,11,14H,4-5,8,10,12H2/t14-/m0/s1
InChIKeyRUPUVXVXYHVCJO-AWEZNQCLSA-N
MW322.45 g/mol
LogP3.20
Rot. Bonds4

About 2-[(2S)-1-benzylsulfonylpiperidin-2-yl]-1,3-thiazole

2-[(2S)-1-benzylsulfonylpiperidin-2-yl]-1,3-thiazole (PubChem CID 99817986) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[(2S)-1-benzylsulfonylpiperidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2S)-1-benzylsulfonylpiperidin-2-yl]-1,3-thiazole
PubChem CID99817986
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC Name2-[(2S)-1-benzylsulfonylpiperidin-2-yl]-1,3-thiazole
SMILESO=S(=O)(Cc1ccccc1)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C15H18N2O2S2/c18-21(19,12-13-6-2-1-3-7-13)17-10-5-4-8-14(17)15-16-9-11-20-15/h1-3,6-7,9,11,14H,4-5,8,10,12H2/t14-/m0/s1
InChIKeyRUPUVXVXYHVCJO-AWEZNQCLSA-N
XLogP3.20
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-benzylsulfonyl-2-thiophen-2-ylazepane
CID 92502875
2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine
CID 110096230
2-[(2S)-1-[(2R)-2-methoxypropyl]sulfonylpiperidin-2-yl]-1,3-thiazole
CID 124743874
3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine
CID 42922078
(2R)-1-benzylsulfonyl-2-(2-chlorophenyl)azepane
CID 95079061
1-benzylsulfonylazepan-2-amine
CID 64560148
(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 96576018
2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine
CID 110871726
1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124615998
5-(1-benzylsulfonylpyrrolidin-2-yl)-1H-imidazole-4-carboxylic acid
CID 20718937
5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole
CID 110257003
6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine
CID 127246933

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-benzylsulfonylpiperidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[(2S)-1-benzylsulfonylpiperidin-2-yl]-1,3-thiazole (CID 99817986) is 2-[(2S)-1-benzylsulfonylpiperidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(2S)-1-benzylsulfonylpiperidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[(2S)-1-benzylsulfonylpiperidin-2-yl]-1,3-thiazole is O=S(=O)(Cc1ccccc1)N1CCCC[C@H]1c1nccs1.
What is the InChIKey of 2-[(2S)-1-benzylsulfonylpiperidin-2-yl]-1,3-thiazole?
The InChIKey is RUPUVXVXYHVCJO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c18-21(19,12-13-6-2-1-3-7-13)17-10-5-4-8-14(17)15-16-9-11-20-15/h1-3,6-7,9,11,14H,4-5,8,10,12H2/t14-/m0/s1.
What are the key properties of 2-[(2S)-1-benzylsulfonylpiperidin-2-yl]-1,3-thiazole?
2-[(2S)-1-benzylsulfonylpiperidin-2-yl]-1,3-thiazole has a molecular weight of 322.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-benzylsulfonylpiperidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 99817986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).