2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole

C8H12N2OS2 — CID 97166120

IUPAC2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole
SMILESO=[S@@](c1nccs1)[C@@H]1CCCNC1
InChIInChI=1S/C8H12N2OS2/c11-13(8-10-4-5-12-8)7-2-1-3-9-6-7/h4-5,7,9H,1-3,6H2/t7-,13-/m1/s1
InChIKeyWFUIYFJQEJYKGO-FUXBKTLASA-N
MW216.33 g/mol
LogP1.00
Rot. Bonds2

About 2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole

2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole (PubChem CID 97166120) has the molecular formula C8H12N2OS2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole
PubChem CID97166120
Molecular FormulaC8H12N2OS2
Molecular Weight216.33 g/mol
Exact Mass216.04
IUPAC Name2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole
SMILESO=[S@@](c1nccs1)[C@@H]1CCCNC1
InChIInChI=1S/C8H12N2OS2/c11-13(8-10-4-5-12-8)7-2-1-3-9-6-7/h4-5,7,9H,1-3,6H2/t7-,13-/m1/s1
InChIKeyWFUIYFJQEJYKGO-FUXBKTLASA-N
XLogP1.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride
CID 71645460
2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride
CID 71645438
2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine
CID 97166117
4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine
CID 97166103
2-piperidin-3-ylsulfinylpyrazine;hydrochloride
CID 71645980
2-piperidin-3-ylsulfinylpyridine;hydrochloride
CID 71645974
N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine
CID 71637319
2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride
CID 71645990
2-chloro-4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyrimidine
CID 97163773
4-methyl-2-piperidin-3-ylsulfinylpyrimidine
CID 71638991
5-methyl-2-[(R)-[(3S)-piperidin-3-yl]sulfinyl]pyridine
CID 97162908
2-piperidin-3-ylsulfinylpyridine-3-carbonitrile
CID 71645971

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole?
The IUPAC name of 2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole (CID 97166120) is 2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole.
What is the SMILES notation for 2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole?
The canonical SMILES for 2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole is O=[S@@](c1nccs1)[C@@H]1CCCNC1.
What is the InChIKey of 2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole?
The InChIKey is WFUIYFJQEJYKGO-FUXBKTLASA-N. The full InChI is InChI=1S/C8H12N2OS2/c11-13(8-10-4-5-12-8)7-2-1-3-9-6-7/h4-5,7,9H,1-3,6H2/t7-,13-/m1/s1.
What are the key properties of 2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole?
2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole has a molecular weight of 216.33 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole is sourced from PubChem (CID 97166120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).