6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one

C14H15NO5S — CID 62371698

IUPAC6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one
SMILESO=c1ccc2cc(S(=O)(=O)N3CCC(CO)C3)ccc2o1
InChIInChI=1S/C14H15NO5S/c16-9-10-5-6-15(8-10)21(18,19)12-2-3-13-11(7-12)1-4-14(17)20-13/h1-4,7,10,16H,5-6,8-9H2
InChIKeyRSCCHULOORQJDA-UHFFFAOYSA-N
MW309.34 g/mol
LogP0.80
Rot. Bonds3

About 6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one

6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one (PubChem CID 62371698) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one
PubChem CID62371698
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one
SMILESO=c1ccc2cc(S(=O)(=O)N3CCC(CO)C3)ccc2o1
InChIInChI=1S/C14H15NO5S/c16-9-10-5-6-15(8-10)21(18,19)12-2-3-13-11(7-12)1-4-14(17)20-13/h1-4,7,10,16H,5-6,8-9H2
InChIKeyRSCCHULOORQJDA-UHFFFAOYSA-N
XLogP0.80
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3S)-3-aminopyrrolidin-1-yl]sulfonylchromen-2-one;hydrochloride
CID 119993407
6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one
CID 43556312
6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride
CID 119990207
6-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]sulfonylchromen-2-one
CID 46972159
6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one
CID 120714302
[(3S)-1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 159366004
2-ethyl-5-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 115965051
6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one
CID 1248585
6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one
CID 171910398
[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62370440
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372226
[1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623881

Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one?
The IUPAC name of 6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one (CID 62371698) is 6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one.
What is the SMILES notation for 6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one?
The canonical SMILES for 6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one is O=c1ccc2cc(S(=O)(=O)N3CCC(CO)C3)ccc2o1.
What is the InChIKey of 6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one?
The InChIKey is RSCCHULOORQJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S/c16-9-10-5-6-15(8-10)21(18,19)12-2-3-13-11(7-12)1-4-14(17)20-13/h1-4,7,10,16H,5-6,8-9H2.
What are the key properties of 6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one?
6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one has a molecular weight of 309.34 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one is sourced from PubChem (CID 62371698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).