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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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).