pyridin-3-yl 4-morpholin-4-ylsulfonylthiophene-2-carboxylate

C14H14N2O5S2 — CID 6503526

IUPACpyridin-3-yl 4-morpholin-4-ylsulfonylthiophene-2-carboxylate
SMILESO=C(Oc1cccnc1)c1cc(S(=O)(=O)N2CCOCC2)cs1
InChIInChI=1S/C14H14N2O5S2/c17-14(21-11-2-1-3-15-9-11)13-8-12(10-22-13)23(18,19)16-4-6-20-7-5-16/h1-3,8-10H,4-7H2
InChIKeyYMBZWLJVKBLXHZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.38
Rot. Bonds4

About pyridin-3-yl 4-morpholin-4-ylsulfonylthiophene-2-carboxylate

pyridin-3-yl 4-morpholin-4-ylsulfonylthiophene-2-carboxylate (PubChem CID 6503526) has the molecular formula C14H14N2O5S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is pyridin-3-yl 4-morpholin-4-ylsulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namepyridin-3-yl 4-morpholin-4-ylsulfonylthiophene-2-carboxylate
PubChem CID6503526
Molecular FormulaC14H14N2O5S2
Molecular Weight354.41 g/mol
Exact Mass354.03
IUPAC Namepyridin-3-yl 4-morpholin-4-ylsulfonylthiophene-2-carboxylate
SMILESO=C(Oc1cccnc1)c1cc(S(=O)(=O)N2CCOCC2)cs1
InChIInChI=1S/C14H14N2O5S2/c17-14(21-11-2-1-3-15-9-11)13-8-12(10-22-13)23(18,19)16-4-6-20-7-5-16/h1-3,8-10H,4-7H2
InChIKeyYMBZWLJVKBLXHZ-UHFFFAOYSA-N
XLogP1.38
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6486031
N-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503342
sodium;hydride;hydron;4-pyridin-3-ylsulfonylmorpholine
CID 174965735
1,3-benzodioxol-5-yl 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylate
CID 6503460
phenyl 3-morpholin-4-ylsulfonylbenzoate
CID 2679267
3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4852314
(3-benzamidophenyl) 4-piperidin-1-ylsulfonylthiophene-2-carboxylate
CID 1322539
N-cycloheptyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6503522
N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 55697164
1-(4-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 27261011
(3-fluorophenyl) 4-morpholin-4-ylsulfonylbenzoate
CID 8779251
methyl 3-(3-morpholin-4-ylsulfonylbenzoyl)oxybenzoate
CID 7924246

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 4-morpholin-4-ylsulfonylthiophene-2-carboxylate?
The IUPAC name of pyridin-3-yl 4-morpholin-4-ylsulfonylthiophene-2-carboxylate (CID 6503526) is pyridin-3-yl 4-morpholin-4-ylsulfonylthiophene-2-carboxylate.
What is the SMILES notation for pyridin-3-yl 4-morpholin-4-ylsulfonylthiophene-2-carboxylate?
The canonical SMILES for pyridin-3-yl 4-morpholin-4-ylsulfonylthiophene-2-carboxylate is O=C(Oc1cccnc1)c1cc(S(=O)(=O)N2CCOCC2)cs1.
What is the InChIKey of pyridin-3-yl 4-morpholin-4-ylsulfonylthiophene-2-carboxylate?
The InChIKey is YMBZWLJVKBLXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S2/c17-14(21-11-2-1-3-15-9-11)13-8-12(10-22-13)23(18,19)16-4-6-20-7-5-16/h1-3,8-10H,4-7H2.
What are the key properties of pyridin-3-yl 4-morpholin-4-ylsulfonylthiophene-2-carboxylate?
pyridin-3-yl 4-morpholin-4-ylsulfonylthiophene-2-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 4-morpholin-4-ylsulfonylthiophene-2-carboxylate is sourced from PubChem (CID 6503526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).