N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide

C15H21N3O2S — CID 163863896

IUPACN-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
InChIInChI=1S/C15H21N3O2S/c1-16-21(19,20)13-5-6-15-14(9-13)11(10-17-15)8-12-4-3-7-18(12)2/h5-6,9-10,12,16-17H,3-4,7-8H2,1-2H3/t12-/m1/s1
InChIKeyPEXUSFJHCGRXFN-GFCCVEGCSA-N
MW307.42 g/mol
LogP1.71
Rot. Bonds4

About N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide

N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide (PubChem CID 163863896) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide
PubChem CID163863896
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
InChIInChI=1S/C15H21N3O2S/c1-16-21(19,20)13-5-6-15-14(9-13)11(10-17-15)8-12-4-3-7-18(12)2/h5-6,9-10,12,16-17H,3-4,7-8H2,1-2H3/t12-/m1/s1
InChIKeyPEXUSFJHCGRXFN-GFCCVEGCSA-N
XLogP1.71
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11419238
N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]naphthalene-2-sulfonamide
CID 11486933
N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-propan-2-ylbenzenesulfonamide
CID 11177383
5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 59715791
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619
5-(2-ethylsulfonylethyl)-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 19970230
2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide
CID 15840027
methylamino-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]methanesulfinate
CID 70284129
5-[(E)-2-(4-methylphenyl)sulfonylethenyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 67692093
5-[2-(4-methylphenyl)sulfonylethenyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 67692097
5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 67074900

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide?
The IUPAC name of N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide (CID 163863896) is N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide.
What is the SMILES notation for N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide?
The canonical SMILES for N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide is CNS(=O)(=O)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1.
What is the InChIKey of N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide?
The InChIKey is PEXUSFJHCGRXFN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-16-21(19,20)13-5-6-15-14(9-13)11(10-17-15)8-12-4-3-7-18(12)2/h5-6,9-10,12,16-17H,3-4,7-8H2,1-2H3/t12-/m1/s1.
What are the key properties of N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide?
N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide is sourced from PubChem (CID 163863896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).