[2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2H-chromene-3-carboxylate

C19H23NO6S — CID 8745478

IUPAC[2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESCCCN(C(=O)COC(=O)C1=Cc2ccccc2OC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H23NO6S/c1-2-8-20(16-7-9-27(23,24)13-16)18(21)12-26-19(22)15-10-14-5-3-4-6-17(14)25-11-15/h3-6,10,16H,2,7-9,11-13H2,1H3/t16-/m1/s1
InChIKeyLWFPHVKCFVOVIP-MRXNPFEDSA-N
MW393.46 g/mol
LogP1.43
Rot. Bonds6

About [2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2H-chromene-3-carboxylate

[2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2H-chromene-3-carboxylate (PubChem CID 8745478) has the molecular formula C19H23NO6S and a molecular weight of 393.46 g/mol. Its IUPAC name is [2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
PubChem CID8745478
Molecular FormulaC19H23NO6S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC Name[2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESCCCN(C(=O)COC(=O)C1=Cc2ccccc2OC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H23NO6S/c1-2-8-20(16-7-9-27(23,24)13-16)18(21)12-26-19(22)15-10-14-5-3-4-6-17(14)25-11-15/h3-6,10,16H,2,7-9,11-13H2,1H3/t16-/m1/s1
InChIKeyLWFPHVKCFVOVIP-MRXNPFEDSA-N
XLogP1.43
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2H-chromene-3-carboxylate with MolForge

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Related Compounds

[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8743922
[2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 3-hydroxybenzoate
CID 7790146
[2-[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-hydroxybenzoate
CID 7866741
[2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132894
[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 7782875
[2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 42974894
[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363946
N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
CID 95586858
[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 7484860
[2-[(1,1-dioxothiolan-3-yl)-propylamino]-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501238
[2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-formylbenzoate
CID 55313471
2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 55327740

Frequently Asked Questions

What is the IUPAC name of [2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The IUPAC name of [2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2H-chromene-3-carboxylate (CID 8745478) is [2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The canonical SMILES for [2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2H-chromene-3-carboxylate is CCCN(C(=O)COC(=O)C1=Cc2ccccc2OC1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of [2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The InChIKey is LWFPHVKCFVOVIP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23NO6S/c1-2-8-20(16-7-9-27(23,24)13-16)18(21)12-26-19(22)15-10-14-5-3-4-6-17(14)25-11-15/h3-6,10,16H,2,7-9,11-13H2,1H3/t16-/m1/s1.
What are the key properties of [2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
[2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2H-chromene-3-carboxylate has a molecular weight of 393.46 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 8745478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).