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

C9H14N2O2S2 — CID 97165990

IUPAC2-[[(3S)-piperidin-3-yl]methylsulfonyl]-1,3-thiazole
SMILESO=S(=O)(C[C@H]1CCCNC1)c1nccs1
InChIInChI=1S/C9H14N2O2S2/c12-15(13,9-11-4-5-14-9)7-8-2-1-3-10-6-8/h4-5,8,10H,1-3,6-7H2/t8-/m0/s1
InChIKeyHASMREZNLZXSJT-QMMMGPOBSA-N
MW246.36 g/mol
LogP0.92
Rot. Bonds3

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

2-[[(3S)-piperidin-3-yl]methylsulfonyl]-1,3-thiazole (PubChem CID 97165990) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[[(3S)-piperidin-3-yl]methylsulfonyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(3S)-piperidin-3-yl]methylsulfonyl]-1,3-thiazole
PubChem CID97165990
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name2-[[(3S)-piperidin-3-yl]methylsulfonyl]-1,3-thiazole
SMILESO=S(=O)(C[C@H]1CCCNC1)c1nccs1
InChIInChI=1S/C9H14N2O2S2/c12-15(13,9-11-4-5-14-9)7-8-2-1-3-10-6-8/h4-5,8,10H,1-3,6-7H2/t8-/m0/s1
InChIKeyHASMREZNLZXSJT-QMMMGPOBSA-N
XLogP0.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine
CID 97177838
2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile
CID 97165976
5-methyl-2-(piperidin-3-ylmethylsulfonyl)pyridine;hydrochloride
CID 71638644
2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone
CID 71645242
5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]-1,3-benzothiazole
CID 97178062
2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine
CID 97165998
4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride
CID 71645755
1-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823603
N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine
CID 71637319
N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide
CID 97166084
N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine
CID 106624840
1-piperidin-3-yl-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 55173705

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-piperidin-3-yl]methylsulfonyl]-1,3-thiazole?
The IUPAC name of 2-[[(3S)-piperidin-3-yl]methylsulfonyl]-1,3-thiazole (CID 97165990) is 2-[[(3S)-piperidin-3-yl]methylsulfonyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(3S)-piperidin-3-yl]methylsulfonyl]-1,3-thiazole?
The canonical SMILES for 2-[[(3S)-piperidin-3-yl]methylsulfonyl]-1,3-thiazole is O=S(=O)(C[C@H]1CCCNC1)c1nccs1.
What is the InChIKey of 2-[[(3S)-piperidin-3-yl]methylsulfonyl]-1,3-thiazole?
The InChIKey is HASMREZNLZXSJT-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c12-15(13,9-11-4-5-14-9)7-8-2-1-3-10-6-8/h4-5,8,10H,1-3,6-7H2/t8-/m0/s1.
What are the key properties of 2-[[(3S)-piperidin-3-yl]methylsulfonyl]-1,3-thiazole?
2-[[(3S)-piperidin-3-yl]methylsulfonyl]-1,3-thiazole has a molecular weight of 246.36 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-piperidin-3-yl]methylsulfonyl]-1,3-thiazole is sourced from PubChem (CID 97165990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).