4-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole

C14H21N5O2S2 — CID 92606708

IUPAC4-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole
SMILESCc1nn(C)cc1CN1CCC[C@@H](c2nnsc2S(C)(=O)=O)C1
InChIInChI=1S/C14H21N5O2S2/c1-10-12(7-18(2)16-10)9-19-6-4-5-11(8-19)13-14(22-17-15-13)23(3,20)21/h7,11H,4-6,8-9H2,1-3H3/t11-/m1/s1
InChIKeyFKVSFAHDYAQHTQ-LLVKDONJSA-N
MW355.49 g/mol
LogP1.36
Rot. Bonds4

About 4-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole

4-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole (PubChem CID 92606708) has the molecular formula C14H21N5O2S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole.

Molecular Properties

Compound Name4-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole
PubChem CID92606708
Molecular FormulaC14H21N5O2S2
Molecular Weight355.49 g/mol
Exact Mass355.11
IUPAC Name4-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole
SMILESCc1nn(C)cc1CN1CCC[C@@H](c2nnsc2S(C)(=O)=O)C1
InChIInChI=1S/C14H21N5O2S2/c1-10-12(7-18(2)16-10)9-19-6-4-5-11(8-19)13-14(22-17-15-13)23(3,20)21/h7,11H,4-6,8-9H2,1-3H3/t11-/m1/s1
InChIKeyFKVSFAHDYAQHTQ-LLVKDONJSA-N
XLogP1.36
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole
CID 92606840
2-[[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol
CID 110237125
5-methylsulfonyl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]thiadiazole
CID 92595001
4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole
CID 110237156
5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole
CID 110237132
2-methoxy-4-[[(3S)-3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol
CID 92594217
2-methoxy-5-[[(3S)-3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol
CID 92597550
[5-[[(3S)-3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]furan-2-yl]methyl acetate
CID 95856182
4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
CID 130652971
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 83088539
1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 131703772
5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 92555636

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole?
The IUPAC name of 4-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole (CID 92606708) is 4-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole.
What is the SMILES notation for 4-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole?
The canonical SMILES for 4-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole is Cc1nn(C)cc1CN1CCC[C@@H](c2nnsc2S(C)(=O)=O)C1.
What is the InChIKey of 4-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole?
The InChIKey is FKVSFAHDYAQHTQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N5O2S2/c1-10-12(7-18(2)16-10)9-19-6-4-5-11(8-19)13-14(22-17-15-13)23(3,20)21/h7,11H,4-6,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of 4-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole?
4-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole has a molecular weight of 355.49 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole is sourced from PubChem (CID 92606708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).