2-[[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol

C15H19N3O3S2 — CID 110237125

IUPAC2-[[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol
SMILESCS(=O)(=O)c1snnc1C1CCCN(Cc2ccccc2O)C1
InChIInChI=1S/C15H19N3O3S2/c1-23(20,21)15-14(16-17-22-15)12-6-4-8-18(10-12)9-11-5-2-3-7-13(11)19/h2-3,5,7,12,19H,4,6,8-10H2,1H3
InChIKeyQIRCXVARUCWWIY-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.03
Rot. Bonds4

About 2-[[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol

2-[[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol (PubChem CID 110237125) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol
PubChem CID110237125
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name2-[[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol
SMILESCS(=O)(=O)c1snnc1C1CCCN(Cc2ccccc2O)C1
InChIInChI=1S/C15H19N3O3S2/c1-23(20,21)15-14(16-17-22-15)12-6-4-8-18(10-12)9-11-5-2-3-7-13(11)19/h2-3,5,7,12,19H,4,6,8-10H2,1H3
InChIKeyQIRCXVARUCWWIY-UHFFFAOYSA-N
XLogP2.03
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

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
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
4-[(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole
CID 92606840
4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole
CID 110237156
[5-[[(3S)-3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]furan-2-yl]methyl acetate
CID 95856182
2-(2,5-dimethoxyphenyl)-1-[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]ethanone
CID 110237171
2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
CID 24904442
6-methyl-2-[3-(5-methylsulfonylthiadiazol-4-yl)piperidine-1-carbonyl]chromen-4-one
CID 110237178
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)phenol
CID 82980243

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-[[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol (CID 110237125) is 2-[[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-[[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol is CS(=O)(=O)c1snnc1C1CCCN(Cc2ccccc2O)C1.
What is the InChIKey of 2-[[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol?
The InChIKey is QIRCXVARUCWWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-23(20,21)15-14(16-17-22-15)12-6-4-8-18(10-12)9-11-5-2-3-7-13(11)19/h2-3,5,7,12,19H,4,6,8-10H2,1H3.
What are the key properties of 2-[[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol?
2-[[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol has a molecular weight of 353.47 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 110237125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).