2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide

C16H23N3O2S — CID 15840027

IUPAC2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide
SMILESCN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(N)(=O)=O)cc12
InChIInChI=1S/C16H23N3O2S/c1-19-7-2-3-14(19)10-13-11-18-16-5-4-12(9-15(13)16)6-8-22(17,20)21/h4-5,9,11,14,18H,2-3,6-8,10H2,1H3,(H2,17,20,21)/t14-/m1/s1
InChIKeyCURGSLAVTOBZAE-CQSZACIVSA-N
MW321.45 g/mol
LogP1.64
Rot. Bonds5

About 2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide

2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide (PubChem CID 15840027) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide
PubChem CID15840027
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide
SMILESCN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(N)(=O)=O)cc12
InChIInChI=1S/C16H23N3O2S/c1-19-7-2-3-14(19)10-13-11-18-16-5-4-12(9-15(13)16)6-8-22(17,20)21/h4-5,9,11,14,18H,2-3,6-8,10H2,1H3,(H2,17,20,21)/t14-/m1/s1
InChIKeyCURGSLAVTOBZAE-CQSZACIVSA-N
XLogP1.64
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide?
The IUPAC name of 2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide (CID 15840027) is 2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide.
What is the SMILES notation for 2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide?
The canonical SMILES for 2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide is CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(N)(=O)=O)cc12.
What is the InChIKey of 2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide?
The InChIKey is CURGSLAVTOBZAE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-19-7-2-3-14(19)10-13-11-18-16-5-4-12(9-15(13)16)6-8-22(17,20)21/h4-5,9,11,14,18H,2-3,6-8,10H2,1H3,(H2,17,20,21)/t14-/m1/s1.
What are the key properties of 2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide?
2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide is sourced from PubChem (CID 15840027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).