6-methyl-2-[3-(5-methylsulfonylthiadiazol-4-yl)piperidine-1-carbonyl]chromen-4-one

C19H19N3O5S2 — CID 110237178

IUPAC6-methyl-2-[3-(5-methylsulfonylthiadiazol-4-yl)piperidine-1-carbonyl]chromen-4-one
SMILESCc1ccc2oc(C(=O)N3CCCC(c4nnsc4S(C)(=O)=O)C3)cc(=O)c2c1
InChIInChI=1S/C19H19N3O5S2/c1-11-5-6-15-13(8-11)14(23)9-16(27-15)18(24)22-7-3-4-12(10-22)17-19(28-21-20-17)29(2,25)26/h5-6,8-9,12H,3-4,7,10H2,1-2H3
InChIKeyRTDREKNETRVLBR-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.38
Rot. Bonds3

About 6-methyl-2-[3-(5-methylsulfonylthiadiazol-4-yl)piperidine-1-carbonyl]chromen-4-one

6-methyl-2-[3-(5-methylsulfonylthiadiazol-4-yl)piperidine-1-carbonyl]chromen-4-one (PubChem CID 110237178) has the molecular formula C19H19N3O5S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is 6-methyl-2-[3-(5-methylsulfonylthiadiazol-4-yl)piperidine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name6-methyl-2-[3-(5-methylsulfonylthiadiazol-4-yl)piperidine-1-carbonyl]chromen-4-one
PubChem CID110237178
Molecular FormulaC19H19N3O5S2
Molecular Weight433.51 g/mol
Exact Mass433.08
IUPAC Name6-methyl-2-[3-(5-methylsulfonylthiadiazol-4-yl)piperidine-1-carbonyl]chromen-4-one
SMILESCc1ccc2oc(C(=O)N3CCCC(c4nnsc4S(C)(=O)=O)C3)cc(=O)c2c1
InChIInChI=1S/C19H19N3O5S2/c1-11-5-6-15-13(8-11)14(23)9-16(27-15)18(24)22-7-3-4-12(10-22)17-19(28-21-20-17)29(2,25)26/h5-6,8-9,12H,3-4,7,10H2,1-2H3
InChIKeyRTDREKNETRVLBR-UHFFFAOYSA-N
XLogP2.38
TPSA110.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-3-[2-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 95852161
6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one
CID 29201274
2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one
CID 124947056
[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
[(3R)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125174116
[(3S)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125174119
6-methyl-4-oxochromene-2-carboxylic acid
CID 688704
7-methyl-2-[(3S)-3-(pyridine-2-carbonyl)piperidine-1-carbonyl]chromen-4-one
CID 124751539
2-methoxy-4-[[(3S)-3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol
CID 92594217
5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole
CID 110237132
ethyl (3R)-1-(3,5-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxylate
CID 42242316

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[3-(5-methylsulfonylthiadiazol-4-yl)piperidine-1-carbonyl]chromen-4-one?
The IUPAC name of 6-methyl-2-[3-(5-methylsulfonylthiadiazol-4-yl)piperidine-1-carbonyl]chromen-4-one (CID 110237178) is 6-methyl-2-[3-(5-methylsulfonylthiadiazol-4-yl)piperidine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 6-methyl-2-[3-(5-methylsulfonylthiadiazol-4-yl)piperidine-1-carbonyl]chromen-4-one?
The canonical SMILES for 6-methyl-2-[3-(5-methylsulfonylthiadiazol-4-yl)piperidine-1-carbonyl]chromen-4-one is Cc1ccc2oc(C(=O)N3CCCC(c4nnsc4S(C)(=O)=O)C3)cc(=O)c2c1.
What is the InChIKey of 6-methyl-2-[3-(5-methylsulfonylthiadiazol-4-yl)piperidine-1-carbonyl]chromen-4-one?
The InChIKey is RTDREKNETRVLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S2/c1-11-5-6-15-13(8-11)14(23)9-16(27-15)18(24)22-7-3-4-12(10-22)17-19(28-21-20-17)29(2,25)26/h5-6,8-9,12H,3-4,7,10H2,1-2H3.
What are the key properties of 6-methyl-2-[3-(5-methylsulfonylthiadiazol-4-yl)piperidine-1-carbonyl]chromen-4-one?
6-methyl-2-[3-(5-methylsulfonylthiadiazol-4-yl)piperidine-1-carbonyl]chromen-4-one has a molecular weight of 433.51 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-(5-methylsulfonylthiadiazol-4-yl)piperidine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 110237178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).