N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide

C12H15N3O3S — CID 55028268

IUPACN-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H15N3O3S/c1-19(17,18)15-7-6-14-12(16)10-3-2-9-4-5-13-11(9)8-10/h2-5,8,13,15H,6-7H2,1H3,(H,14,16)
InChIKeyXKKOWYSTWHHDNQ-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.45
Rot. Bonds5

About N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide

N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide (PubChem CID 55028268) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide
PubChem CID55028268
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H15N3O3S/c1-19(17,18)15-7-6-14-12(16)10-3-2-9-4-5-13-11(9)8-10/h2-5,8,13,15H,6-7H2,1H3,(H,14,16)
InChIKeyXKKOWYSTWHHDNQ-UHFFFAOYSA-N
XLogP0.45
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide
CID 83040136
N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide
CID 47343118
N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide
CID 103877617
N-(3-methylbut-2-enyl)-1H-indole-6-carboxamide
CID 103528166
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide
CID 102907607
N-(2-pyridin-4-ylethyl)-1H-indole-6-carboxamide
CID 63769836
N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide
CID 83114551
N-(3-azidopropyl)-1H-indole-6-carboxamide
CID 63748447
methanesulfonic acid;methyl 1H-indole-6-carboxylate
CID 174921301
N-[(2-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 39717434
N-(2-pyridin-2-ylethyl)-1H-indole-6-carboxamide
CID 22139228
N-(azetidin-3-yl)-1H-indole-6-carboxamide
CID 66186513

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide (CID 55028268) is N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide is CS(=O)(=O)NCCNC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide?
The InChIKey is XKKOWYSTWHHDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-19(17,18)15-7-6-14-12(16)10-3-2-9-4-5-13-11(9)8-10/h2-5,8,13,15H,6-7H2,1H3,(H,14,16).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide?
N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 55028268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).