N-methyl-2-[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride

C17H26ClN3O2S — CID 139716609

IUPACN-methyl-2-[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride
SMILESCNS(=O)(=O)CCc1ccc2[nH]cc(CC3CCN(C)C3)c2c1.Cl
InChIInChI=1S/C17H25N3O2S.ClH/c1-18-23(21,22)8-6-13-3-4-17-16(10-13)15(11-19-17)9-14-5-7-20(2)12-14;/h3-4,10-11,14,18-19H,5-9,12H2,1-2H3;1H
InChIKeyHQQRWUYRTGZJLB-UHFFFAOYSA-N
MW371.93 g/mol
LogP2.18
Rot. Bonds6

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

N-methyl-2-[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride (PubChem CID 139716609) has the molecular formula C17H26ClN3O2S and a molecular weight of 371.93 g/mol. Its IUPAC name is N-methyl-2-[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride
PubChem CID139716609
Molecular FormulaC17H26ClN3O2S
Molecular Weight371.93 g/mol
Exact Mass371.14
IUPAC NameN-methyl-2-[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride
SMILESCNS(=O)(=O)CCc1ccc2[nH]cc(CC3CCN(C)C3)c2c1.Cl
InChIInChI=1S/C17H25N3O2S.ClH/c1-18-23(21,22)8-6-13-3-4-17-16(10-13)15(11-19-17)9-14-5-7-20(2)12-14;/h3-4,10-11,14,18-19H,5-9,12H2,1-2H3;1H
InChIKeyHQQRWUYRTGZJLB-UHFFFAOYSA-N
XLogP2.18
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.93
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
CID 4440
N-methyl-2-[3-[1-(trideuteriomethyl)piperidin-4-yl]-1H-indol-5-yl]ethanesulfonamide
CID 45040003
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
2-[3-(1,1-dimethylpiperidin-1-ium-4-yl)-1H-indol-5-yl]-N-methylethanesulfonamide
CID 85260849
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
N-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;triethylsilane
CID 159806211
5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 22873790
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;ethene
CID 143897190
1-[(2R)-2-[[5-(2-ethylsulfonylethyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propan-2-ol
CID 67716618
N-methyl-1-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methanesulfonamide
CID 10826690
3-[[(2R)-1-[2-(benzenesulfinyl)ethyl]pyrrolidin-2-yl]methyl]-5-(2-ethylsulfonylethyl)-1H-indole
CID 22873797

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride?
The IUPAC name of N-methyl-2-[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride (CID 139716609) is N-methyl-2-[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-2-[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride?
The canonical SMILES for N-methyl-2-[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride is CNS(=O)(=O)CCc1ccc2[nH]cc(CC3CCN(C)C3)c2c1.Cl.
What is the InChIKey of N-methyl-2-[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride?
The InChIKey is HQQRWUYRTGZJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S.ClH/c1-18-23(21,22)8-6-13-3-4-17-16(10-13)15(11-19-17)9-14-5-7-20(2)12-14;/h3-4,10-11,14,18-19H,5-9,12H2,1-2H3;1H.
What are the key properties of N-methyl-2-[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride?
N-methyl-2-[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride has a molecular weight of 371.93 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride is sourced from PubChem (CID 139716609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).