6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one

C14H16N2O4S — CID 43556312

IUPAC6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one
SMILESNC1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1
InChIInChI=1S/C14H16N2O4S/c15-11-5-7-16(8-6-11)21(18,19)12-2-3-13-10(9-12)1-4-14(17)20-13/h1-4,9,11H,5-8,15H2
InChIKeyNDBGQGKZNXSSJS-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.90
Rot. Bonds2

About 6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one

6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one (PubChem CID 43556312) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one.

Molecular Properties

Compound Name6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one
PubChem CID43556312
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one
SMILESNC1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1
InChIInChI=1S/C14H16N2O4S/c15-11-5-7-16(8-6-11)21(18,19)12-2-3-13-10(9-12)1-4-14(17)20-13/h1-4,9,11H,5-8,15H2
InChIKeyNDBGQGKZNXSSJS-UHFFFAOYSA-N
XLogP0.90
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6-[(3S)-3-aminopyrrolidin-1-yl]sulfonylchromen-2-one;hydrochloride
CID 119993407
6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one
CID 62371698
6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride
CID 119990207
6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one
CID 120714302
6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one
CID 1248585
6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
CID 55560079
6-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylchromen-2-one
CID 146075208
6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one
CID 2987419
2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]sulfonylbenzonitrile
CID 24678232
6-(4-aminopiperidin-1-yl)sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 43556311
2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide
CID 172906846
N-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide
CID 55914305

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one?
The IUPAC name of 6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one (CID 43556312) is 6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one.
What is the SMILES notation for 6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one?
The canonical SMILES for 6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one is NC1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1.
What is the InChIKey of 6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one?
The InChIKey is NDBGQGKZNXSSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c15-11-5-7-16(8-6-11)21(18,19)12-2-3-13-10(9-12)1-4-14(17)20-13/h1-4,9,11H,5-8,15H2.
What are the key properties of 6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one?
6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one has a molecular weight of 308.36 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one is sourced from PubChem (CID 43556312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).