N-methyl-1-[3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide

C20H25N3O2S2 — CID 101364287

IUPACN-methyl-1-[3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc2[nH]cc(CC3CCCN3Cc3cccs3)c2c1
InChIInChI=1S/C20H25N3O2S2/c1-21-27(24,25)14-15-6-7-20-19(10-15)16(12-22-20)11-17-4-2-8-23(17)13-18-5-3-9-26-18/h3,5-7,9-10,12,17,21-22H,2,4,8,11,13-14H2,1H3
InChIKeyCGVHPXWWGNCCRS-UHFFFAOYSA-N
MW403.57 g/mol
LogP3.49
Rot. Bonds7

About N-methyl-1-[3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide

N-methyl-1-[3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide (PubChem CID 101364287) has the molecular formula C20H25N3O2S2 and a molecular weight of 403.57 g/mol. Its IUPAC name is N-methyl-1-[3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-[3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide
PubChem CID101364287
Molecular FormulaC20H25N3O2S2
Molecular Weight403.57 g/mol
Exact Mass403.14
IUPAC NameN-methyl-1-[3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc2[nH]cc(CC3CCCN3Cc3cccs3)c2c1
InChIInChI=1S/C20H25N3O2S2/c1-21-27(24,25)14-15-6-7-20-19(10-15)16(12-22-20)11-17-4-2-8-23(17)13-18-5-3-9-26-18/h3,5-7,9-10,12,17,21-22H,2,4,8,11,13-14H2,1H3
InChIKeyCGVHPXWWGNCCRS-UHFFFAOYSA-N
XLogP3.49
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 177026458
3-[[(2R)-1-[2-(benzenesulfinyl)ethyl]pyrrolidin-2-yl]methyl]-5-(2-ethylsulfonylethyl)-1H-indole
CID 22873797
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
N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide
CID 163863896
N-methyl-2-[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride
CID 139716609
5-(2-ethylsulfonylethyl)-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 19970230
3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854698
2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide
CID 15840027
1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 10660550
2-methyl-4-[3-[[1-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methyl]-1H-indol-5-yl]butan-2-ol
CID 19077568
5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole
CID 176854720

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide?
The IUPAC name of N-methyl-1-[3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide (CID 101364287) is N-methyl-1-[3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-1-[3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide?
The canonical SMILES for N-methyl-1-[3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide is CNS(=O)(=O)Cc1ccc2[nH]cc(CC3CCCN3Cc3cccs3)c2c1.
What is the InChIKey of N-methyl-1-[3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide?
The InChIKey is CGVHPXWWGNCCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S2/c1-21-27(24,25)14-15-6-7-20-19(10-15)16(12-22-20)11-17-4-2-8-23(17)13-18-5-3-9-26-18/h3,5-7,9-10,12,17,21-22H,2,4,8,11,13-14H2,1H3.
What are the key properties of N-methyl-1-[3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide?
N-methyl-1-[3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide has a molecular weight of 403.57 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide is sourced from PubChem (CID 101364287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).