2-[(3S)-1-(1-methylsulfonylpiperidin-4-yl)piperidin-3-yl]-1,3-thiazole

C14H23N3O2S2 — CID 124989530

IUPAC2-[(3S)-1-(1-methylsulfonylpiperidin-4-yl)piperidin-3-yl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCC(N2CCC[C@H](c3nccs3)C2)CC1
InChIInChI=1S/C14H23N3O2S2/c1-21(18,19)17-8-4-13(5-9-17)16-7-2-3-12(11-16)14-15-6-10-20-14/h6,10,12-13H,2-5,7-9,11H2,1H3/t12-/m0/s1
InChIKeyOUYOIBHAOYYCQE-LBPRGKRZSA-N
MW329.49 g/mol
LogP1.75
Rot. Bonds3

About 2-[(3S)-1-(1-methylsulfonylpiperidin-4-yl)piperidin-3-yl]-1,3-thiazole

2-[(3S)-1-(1-methylsulfonylpiperidin-4-yl)piperidin-3-yl]-1,3-thiazole (PubChem CID 124989530) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-[(3S)-1-(1-methylsulfonylpiperidin-4-yl)piperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3S)-1-(1-methylsulfonylpiperidin-4-yl)piperidin-3-yl]-1,3-thiazole
PubChem CID124989530
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name2-[(3S)-1-(1-methylsulfonylpiperidin-4-yl)piperidin-3-yl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCC(N2CCC[C@H](c3nccs3)C2)CC1
InChIInChI=1S/C14H23N3O2S2/c1-21(18,19)17-8-4-13(5-9-17)16-7-2-3-12(11-16)14-15-6-10-20-14/h6,10,12-13H,2-5,7-9,11H2,1H3/t12-/m0/s1
InChIKeyOUYOIBHAOYYCQE-LBPRGKRZSA-N
XLogP1.75
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(1-methylsulfonylpiperidin-4-yl)piperidin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[(3S)-1-(1-methylsulfonylpiperidin-4-yl)piperidin-3-yl]-1,3-thiazole (CID 124989530) is 2-[(3S)-1-(1-methylsulfonylpiperidin-4-yl)piperidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(3S)-1-(1-methylsulfonylpiperidin-4-yl)piperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[(3S)-1-(1-methylsulfonylpiperidin-4-yl)piperidin-3-yl]-1,3-thiazole is CS(=O)(=O)N1CCC(N2CCC[C@H](c3nccs3)C2)CC1.
What is the InChIKey of 2-[(3S)-1-(1-methylsulfonylpiperidin-4-yl)piperidin-3-yl]-1,3-thiazole?
The InChIKey is OUYOIBHAOYYCQE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-21(18,19)17-8-4-13(5-9-17)16-7-2-3-12(11-16)14-15-6-10-20-14/h6,10,12-13H,2-5,7-9,11H2,1H3/t12-/m0/s1.
What are the key properties of 2-[(3S)-1-(1-methylsulfonylpiperidin-4-yl)piperidin-3-yl]-1,3-thiazole?
2-[(3S)-1-(1-methylsulfonylpiperidin-4-yl)piperidin-3-yl]-1,3-thiazole has a molecular weight of 329.49 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(1-methylsulfonylpiperidin-4-yl)piperidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 124989530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).