N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methyl-5-sulfamoylisoquinoline-1-carboxamide

C18H24N4O3S — CID 164631580

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methyl-5-sulfamoylisoquinoline-1-carboxamide
SMILESCCN1CCC[C@@H]1CN(C)C(=O)c1nccc2c(S(N)(=O)=O)cccc12
InChIInChI=1S/C18H24N4O3S/c1-3-22-11-5-6-13(22)12-21(2)18(23)17-15-7-4-8-16(26(19,24)25)14(15)9-10-20-17/h4,7-10,13H,3,5-6,11-12H2,1-2H3,(H2,19,24,25)/t13-/m1/s1
InChIKeyWLUFTPYTPHZTBI-CYBMUJFWSA-N
MW376.48 g/mol
LogP1.44
Rot. Bonds5

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methyl-5-sulfamoylisoquinoline-1-carboxamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methyl-5-sulfamoylisoquinoline-1-carboxamide (PubChem CID 164631580) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methyl-5-sulfamoylisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methyl-5-sulfamoylisoquinoline-1-carboxamide
PubChem CID164631580
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methyl-5-sulfamoylisoquinoline-1-carboxamide
SMILESCCN1CCC[C@@H]1CN(C)C(=O)c1nccc2c(S(N)(=O)=O)cccc12
InChIInChI=1S/C18H24N4O3S/c1-3-22-11-5-6-13(22)12-21(2)18(23)17-15-7-4-8-16(26(19,24)25)14(15)9-10-20-17/h4,7-10,13H,3,5-6,11-12H2,1-2H3,(H2,19,24,25)/t13-/m1/s1
InChIKeyWLUFTPYTPHZTBI-CYBMUJFWSA-N
XLogP1.44
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methyl-5-sulfamoylisoquinoline-1-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methyl-5-sulfamoylisoquinoline-1-carboxamide (CID 164631580) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methyl-5-sulfamoylisoquinoline-1-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methyl-5-sulfamoylisoquinoline-1-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methyl-5-sulfamoylisoquinoline-1-carboxamide is CCN1CCC[C@@H]1CN(C)C(=O)c1nccc2c(S(N)(=O)=O)cccc12.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methyl-5-sulfamoylisoquinoline-1-carboxamide?
The InChIKey is WLUFTPYTPHZTBI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-3-22-11-5-6-13(22)12-21(2)18(23)17-15-7-4-8-16(26(19,24)25)14(15)9-10-20-17/h4,7-10,13H,3,5-6,11-12H2,1-2H3,(H2,19,24,25)/t13-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methyl-5-sulfamoylisoquinoline-1-carboxamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methyl-5-sulfamoylisoquinoline-1-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methyl-5-sulfamoylisoquinoline-1-carboxamide is sourced from PubChem (CID 164631580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).