6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one

C18H22N2O4S — CID 120714302

IUPAC6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one
SMILESO=c1ccc2cc(S(=O)(=O)N3CCC(C4CCCN4)CC3)ccc2o1
InChIInChI=1S/C18H22N2O4S/c21-18-6-3-14-12-15(4-5-17(14)24-18)25(22,23)20-10-7-13(8-11-20)16-2-1-9-19-16/h3-6,12-13,16,19H,1-2,7-11H2
InChIKeyLWRKBSNGGWGHPG-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.95
Rot. Bonds3

About 6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one

6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one (PubChem CID 120714302) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one.

Molecular Properties

Compound Name6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one
PubChem CID120714302
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one
SMILESO=c1ccc2cc(S(=O)(=O)N3CCC(C4CCCN4)CC3)ccc2o1
InChIInChI=1S/C18H22N2O4S/c21-18-6-3-14-12-15(4-5-17(14)24-18)25(22,23)20-10-7-13(8-11-20)16-2-1-9-19-16/h3-6,12-13,16,19H,1-2,7-11H2
InChIKeyLWRKBSNGGWGHPG-UHFFFAOYSA-N
XLogP1.95
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.95
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-(4-aminopiperidin-1-yl)sulfonylchromen-2-one
CID 43556312
1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714288
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
1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714337
2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120714185
6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one
CID 1248585
6-(2,9-diazaspiro[4.5]decan-2-ylsulfonyl)chromen-2-one
CID 56758430
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
1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714118

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one?
The IUPAC name of 6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one (CID 120714302) is 6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one.
What is the SMILES notation for 6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one?
The canonical SMILES for 6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one is O=c1ccc2cc(S(=O)(=O)N3CCC(C4CCCN4)CC3)ccc2o1.
What is the InChIKey of 6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one?
The InChIKey is LWRKBSNGGWGHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c21-18-6-3-14-12-15(4-5-17(14)24-18)25(22,23)20-10-7-13(8-11-20)16-2-1-9-19-16/h3-6,12-13,16,19H,1-2,7-11H2.
What are the key properties of 6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one?
6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one has a molecular weight of 362.45 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one is sourced from PubChem (CID 120714302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).