2-(thiomorpholine-4-carbonyl)chromen-4-one

C14H13NO3S — CID 22107022

IUPAC2-(thiomorpholine-4-carbonyl)chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCSCC1
InChIInChI=1S/C14H13NO3S/c16-11-9-13(14(17)15-5-7-19-8-6-15)18-12-4-2-1-3-10(11)12/h1-4,9H,5-8H2
InChIKeyXUIZIIHXWDZMJT-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.98
Rot. Bonds1

About 2-(thiomorpholine-4-carbonyl)chromen-4-one

2-(thiomorpholine-4-carbonyl)chromen-4-one (PubChem CID 22107022) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(thiomorpholine-4-carbonyl)chromen-4-one.

Molecular Properties

Compound Name2-(thiomorpholine-4-carbonyl)chromen-4-one
PubChem CID22107022
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name2-(thiomorpholine-4-carbonyl)chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCSCC1
InChIInChI=1S/C14H13NO3S/c16-11-9-13(14(17)15-5-7-19-8-6-15)18-12-4-2-1-3-10(11)12/h1-4,9H,5-8H2
InChIKeyXUIZIIHXWDZMJT-UHFFFAOYSA-N
XLogP1.98
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
2-[(7R)-7-(2-chlorophenyl)-1,4-thiazepane-4-carbonyl]chromen-4-one
CID 124670847
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one
CID 9081959
2-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]chromen-4-one
CID 55620728
2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one
CID 122334648
2-[4-(2-methylpropylsulfonyl)piperidine-1-carbonyl]chromen-4-one
CID 90590040
2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one
CID 9496445
2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one
CID 79990732
2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]chromen-4-one
CID 97122988
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115966240
2-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115969507
2-(1,1-dioxo-7-phenyl-1,4-thiazepane-4-carbonyl)chromen-4-one
CID 121191939

Frequently Asked Questions

What is the IUPAC name of 2-(thiomorpholine-4-carbonyl)chromen-4-one?
The IUPAC name of 2-(thiomorpholine-4-carbonyl)chromen-4-one (CID 22107022) is 2-(thiomorpholine-4-carbonyl)chromen-4-one.
What is the SMILES notation for 2-(thiomorpholine-4-carbonyl)chromen-4-one?
The canonical SMILES for 2-(thiomorpholine-4-carbonyl)chromen-4-one is O=C(c1cc(=O)c2ccccc2o1)N1CCSCC1.
What is the InChIKey of 2-(thiomorpholine-4-carbonyl)chromen-4-one?
The InChIKey is XUIZIIHXWDZMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-11-9-13(14(17)15-5-7-19-8-6-15)18-12-4-2-1-3-10(11)12/h1-4,9H,5-8H2.
What are the key properties of 2-(thiomorpholine-4-carbonyl)chromen-4-one?
2-(thiomorpholine-4-carbonyl)chromen-4-one has a molecular weight of 275.33 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiomorpholine-4-carbonyl)chromen-4-one is sourced from PubChem (CID 22107022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).