1-(2H-chromen-3-ylmethyl)-N-ethylpyrrolidine-3-sulfonamide

C16H22N2O3S — CID 86785232

IUPAC1-(2H-chromen-3-ylmethyl)-N-ethylpyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(CC2=Cc3ccccc3OC2)C1
InChIInChI=1S/C16H22N2O3S/c1-2-17-22(19,20)15-7-8-18(11-15)10-13-9-14-5-3-4-6-16(14)21-12-13/h3-6,9,15,17H,2,7-8,10-12H2,1H3
InChIKeySEQPHKGZXCJBNK-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.48
Rot. Bonds5

About 1-(2H-chromen-3-ylmethyl)-N-ethylpyrrolidine-3-sulfonamide

1-(2H-chromen-3-ylmethyl)-N-ethylpyrrolidine-3-sulfonamide (PubChem CID 86785232) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(2H-chromen-3-ylmethyl)-N-ethylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2H-chromen-3-ylmethyl)-N-ethylpyrrolidine-3-sulfonamide
PubChem CID86785232
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-(2H-chromen-3-ylmethyl)-N-ethylpyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(CC2=Cc3ccccc3OC2)C1
InChIInChI=1S/C16H22N2O3S/c1-2-17-22(19,20)15-7-8-18(11-15)10-13-9-14-5-3-4-6-16(14)21-12-13/h3-6,9,15,17H,2,7-8,10-12H2,1H3
InChIKeySEQPHKGZXCJBNK-UHFFFAOYSA-N
XLogP1.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2,6-difluorophenyl)methyl]-N-ethylpyrrolidine-3-sulfonamide
CID 97343920
N-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide
CID 75500088
(3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide
CID 99782185
N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide
CID 75518432
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide;hydrochloride
CID 120902111
1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide
CID 75500092
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide
CID 75518425
1-acetyl-4-(2H-chromen-3-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide
CID 127245431
(4aS,8aR)-2-(2H-chromen-3-ylmethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 51590584
N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide
CID 126817515
ethane;3-ethyl-2H-chromene;3-methyl-2H-chromene
CID 171088384
(3S)-1-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-N-methylpyrrolidine-3-sulfonamide
CID 167904772

Frequently Asked Questions

What is the IUPAC name of 1-(2H-chromen-3-ylmethyl)-N-ethylpyrrolidine-3-sulfonamide?
The IUPAC name of 1-(2H-chromen-3-ylmethyl)-N-ethylpyrrolidine-3-sulfonamide (CID 86785232) is 1-(2H-chromen-3-ylmethyl)-N-ethylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(2H-chromen-3-ylmethyl)-N-ethylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(2H-chromen-3-ylmethyl)-N-ethylpyrrolidine-3-sulfonamide is CCNS(=O)(=O)C1CCN(CC2=Cc3ccccc3OC2)C1.
What is the InChIKey of 1-(2H-chromen-3-ylmethyl)-N-ethylpyrrolidine-3-sulfonamide?
The InChIKey is SEQPHKGZXCJBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-2-17-22(19,20)15-7-8-18(11-15)10-13-9-14-5-3-4-6-16(14)21-12-13/h3-6,9,15,17H,2,7-8,10-12H2,1H3.
What are the key properties of 1-(2H-chromen-3-ylmethyl)-N-ethylpyrrolidine-3-sulfonamide?
1-(2H-chromen-3-ylmethyl)-N-ethylpyrrolidine-3-sulfonamide has a molecular weight of 322.43 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-chromen-3-ylmethyl)-N-ethylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 86785232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).