N-[6-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]oxy]hexyl]methanesulfonamide

C18H29N3O3S — CID 70100959

IUPACN-[6-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]oxy]hexyl]methanesulfonamide
SMILESCNCCc1c[nH]c2ccc(OCCCCCCNS(C)(=O)=O)cc12
InChIInChI=1S/C18H29N3O3S/c1-19-11-9-15-14-20-18-8-7-16(13-17(15)18)24-12-6-4-3-5-10-21-25(2,22)23/h7-8,13-14,19-21H,3-6,9-12H2,1-2H3
InChIKeyDEFWZSSWLLUBEX-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.42
Rot. Bonds12

About N-[6-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]oxy]hexyl]methanesulfonamide

N-[6-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]oxy]hexyl]methanesulfonamide (PubChem CID 70100959) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[6-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]oxy]hexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]oxy]hexyl]methanesulfonamide
PubChem CID70100959
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-[6-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]oxy]hexyl]methanesulfonamide
SMILESCNCCc1c[nH]c2ccc(OCCCCCCNS(C)(=O)=O)cc12
InChIInChI=1S/C18H29N3O3S/c1-19-11-9-15-14-20-18-8-7-16(13-17(15)18)24-12-6-4-3-5-10-21-25(2,22)23/h7-8,13-14,19-21H,3-6,9-12H2,1-2H3
InChIKeyDEFWZSSWLLUBEX-UHFFFAOYSA-N
XLogP2.42
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride
CID 22097965
N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide
CID 46888491
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
2-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]butylsulfamoyl]benzoic acid
CID 67715252
5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine
CID 15341730
N-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide
CID 14209532
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
N-methyl-1-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methanesulfonamide
CID 10826690
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide
CID 160629194
2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine
CID 98783922

Frequently Asked Questions

What is the IUPAC name of N-[6-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]oxy]hexyl]methanesulfonamide?
The IUPAC name of N-[6-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]oxy]hexyl]methanesulfonamide (CID 70100959) is N-[6-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]oxy]hexyl]methanesulfonamide.
What is the SMILES notation for N-[6-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]oxy]hexyl]methanesulfonamide?
The canonical SMILES for N-[6-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]oxy]hexyl]methanesulfonamide is CNCCc1c[nH]c2ccc(OCCCCCCNS(C)(=O)=O)cc12.
What is the InChIKey of N-[6-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]oxy]hexyl]methanesulfonamide?
The InChIKey is DEFWZSSWLLUBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-19-11-9-15-14-20-18-8-7-16(13-17(15)18)24-12-6-4-3-5-10-21-25(2,22)23/h7-8,13-14,19-21H,3-6,9-12H2,1-2H3.
What are the key properties of N-[6-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]oxy]hexyl]methanesulfonamide?
N-[6-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]oxy]hexyl]methanesulfonamide has a molecular weight of 367.52 g/mol, XLogP of 2.42, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]oxy]hexyl]methanesulfonamide is sourced from PubChem (CID 70100959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).