[1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C14H18N2O4S — CID 168680441

IUPAC[1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(C2CCOc3ccccc32)C1
InChIInChI=1S/C14H18N2O4S/c15-21(18,19)9-10-7-14(17)16(8-10)12-5-6-20-13-4-2-1-3-11(12)13/h1-4,10,12H,5-9H2,(H2,15,18,19)
InChIKeyVOIBEGGWUMWHFY-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.65
Rot. Bonds3

About [1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680441) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680441
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name[1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(C2CCOc3ccccc32)C1
InChIInChI=1S/C14H18N2O4S/c15-21(18,19)9-10-7-14(17)16(8-10)12-5-6-20-13-4-2-1-3-11(12)13/h1-4,10,12H,5-9H2,(H2,15,18,19)
InChIKeyVOIBEGGWUMWHFY-UHFFFAOYSA-N
XLogP0.65
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

S-[[1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666116
methyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168692790
[1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682896
[1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680137
1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one
CID 113296325
1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinane-2,4,6-trione
CID 112597991
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide
CID 168680639
[5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683193
[5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682163
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680441) is [1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(C2CCOc3ccccc32)C1.
What is the InChIKey of [1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is VOIBEGGWUMWHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c15-21(18,19)9-10-7-14(17)16(8-10)12-5-6-20-13-4-2-1-3-11(12)13/h1-4,10,12H,5-9H2,(H2,15,18,19).
What are the key properties of [1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).