[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]methanesulfonamide

C14H21N3O2S — CID 69456536

IUPAC[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]methanesulfonamide
SMILESCc1[nH]c2ccc(CS(N)(=O)=O)cc2c1CCN(C)C
InChIInChI=1S/C14H21N3O2S/c1-10-12(6-7-17(2)3)13-8-11(9-20(15,18)19)4-5-14(13)16-10/h4-5,8,16H,6-7,9H2,1-3H3,(H2,15,18,19)
InChIKeyRXAXRFAHZQATBB-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.37
Rot. Bonds5

About [3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]methanesulfonamide

[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]methanesulfonamide (PubChem CID 69456536) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]methanesulfonamide.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]methanesulfonamide
PubChem CID69456536
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]methanesulfonamide
SMILESCc1[nH]c2ccc(CS(N)(=O)=O)cc2c1CCN(C)C
InChIInChI=1S/C14H21N3O2S/c1-10-12(6-7-17(2)3)13-8-11(9-20(15,18)19)4-5-14(13)16-10/h4-5,8,16H,6-7,9H2,1-3H3,(H2,15,18,19)
InChIKeyRXAXRFAHZQATBB-UHFFFAOYSA-N
XLogP1.37
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[2-methyl-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
CID 58978477
3-[2-(dimethylamino)ethyl]-5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indole-2-carboxylic acid
CID 19417475
1-[3-[[3-[2-(dimethylamino)ethyl]-5-(methylsulfamoylmethyl)-1H-indol-2-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 169438957
N,N-dimethyl-3-(2-methyl-5-nitro-1H-indol-3-yl)propan-1-amine
CID 170866882
N-[3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 66852256
N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-2,5-difluorobenzamide
CID 22611290
2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 164763836
2-(5-bromo-2-methyl-1H-indol-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]ethanamine
CID 122187876
[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
CID 19023004
2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium
CID 2060969
2-[2-[3-[2-(dimethylamino)ethyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-2-yl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 131667422
2-[2-[(4-chlorophenyl)sulfonylmethyl]-5-fluoro-1H-indol-3-yl]-N,N-dimethylethanamine
CID 16660530

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]methanesulfonamide?
The IUPAC name of [3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]methanesulfonamide (CID 69456536) is [3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]methanesulfonamide.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]methanesulfonamide?
The canonical SMILES for [3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]methanesulfonamide is Cc1[nH]c2ccc(CS(N)(=O)=O)cc2c1CCN(C)C.
What is the InChIKey of [3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]methanesulfonamide?
The InChIKey is RXAXRFAHZQATBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10-12(6-7-17(2)3)13-8-11(9-20(15,18)19)4-5-14(13)16-10/h4-5,8,16H,6-7,9H2,1-3H3,(H2,15,18,19).
What are the key properties of [3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]methanesulfonamide?
[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]methanesulfonamide has a molecular weight of 295.41 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]methanesulfonamide is sourced from PubChem (CID 69456536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).