5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole

C14H18N4O2S2 — CID 110237132

IUPAC5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole
SMILESCS(=O)(=O)c1snnc1C1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C14H18N4O2S2/c1-22(19,20)14-13(16-17-21-14)11-5-4-8-18(9-11)10-12-6-2-3-7-15-12/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyCOVOHNJTBUTQLH-UHFFFAOYSA-N
MW338.46 g/mol
LogP1.72
Rot. Bonds4

About 5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole

5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole (PubChem CID 110237132) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole.

Molecular Properties

Compound Name5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole
PubChem CID110237132
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole
SMILESCS(=O)(=O)c1snnc1C1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C14H18N4O2S2/c1-22(19,20)14-13(16-17-21-14)11-5-4-8-18(9-11)10-12-6-2-3-7-15-12/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyCOVOHNJTBUTQLH-UHFFFAOYSA-N
XLogP1.72
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol
CID 110237125
4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole
CID 110237156
5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
CID 92603087
4-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole
CID 92606708
5-methylsulfonyl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]thiadiazole
CID 92595001
2-methoxy-4-[[(3S)-3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol
CID 92594217
[5-[[(3S)-3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]furan-2-yl]methyl acetate
CID 95856182
2-methoxy-5-[[(3S)-3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol
CID 92597550
4-[(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole
CID 92606840
2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
CID 95843459
2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
CID 110250066
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole?
The IUPAC name of 5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole (CID 110237132) is 5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole.
What is the SMILES notation for 5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole?
The canonical SMILES for 5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole is CS(=O)(=O)c1snnc1C1CCCN(Cc2ccccn2)C1.
What is the InChIKey of 5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole?
The InChIKey is COVOHNJTBUTQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-22(19,20)14-13(16-17-21-14)11-5-4-8-18(9-11)10-12-6-2-3-7-15-12/h2-3,6-7,11H,4-5,8-10H2,1H3.
What are the key properties of 5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole?
5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole has a molecular weight of 338.46 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole is sourced from PubChem (CID 110237132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).