N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride

C17H28ClN3O3S — CID 22097965

IUPACN-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCCCCCCOc1ccc2[nH]cc(CCN)c2c1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-24(21,22)20-10-4-2-3-5-11-23-15-6-7-17-16(12-15)14(8-9-18)13-19-17;/h6-7,12-13,19-20H,2-5,8-11,18H2,1H3;1H
InChIKeyUFBDVWACMXVWHC-UHFFFAOYSA-N
MW389.95 g/mol
LogP2.58
Rot. Bonds11

About N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride

N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride (PubChem CID 22097965) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride
PubChem CID22097965
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCCCCCCOc1ccc2[nH]cc(CCN)c2c1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-24(21,22)20-10-4-2-3-5-11-23-15-6-7-17-16(12-15)14(8-9-18)13-19-17;/h6-7,12-13,19-20H,2-5,8-11,18H2,1H3;1H
InChIKeyUFBDVWACMXVWHC-UHFFFAOYSA-N
XLogP2.58
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 52.58
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-(methylamino)ethyl]-1H-indol-5-yl]oxy]hexyl]methanesulfonamide
CID 70100959
5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine
CID 15341730
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
2-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]butylsulfamoyl]benzoic acid
CID 67715252
2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine
CID 15342178
2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethanamine
CID 71510843
2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride
CID 134155855
2-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]butyl]isoindole-1,3-dione;hydrochloride
CID 19029941
2-(5-dodecoxy-1H-indol-3-yl)ethanamine;2-[5-(2-ethylhexoxy)-1H-indol-3-yl]ethanamine;2-(5-hexadecoxy-1H-indol-3-yl)ethanamine;2-(5-tetradecoxy-1H-indol-3-yl)ethanamine
CID 161238590
N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide
CID 46888491
bis[3-(2-aminoethyl)-1H-indol-5-yl] hexanedioate
CID 57477029

Frequently Asked Questions

What is the IUPAC name of N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride (CID 22097965) is N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride is CS(=O)(=O)NCCCCCCOc1ccc2[nH]cc(CCN)c2c1.Cl.
What is the InChIKey of N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride?
The InChIKey is UFBDVWACMXVWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-24(21,22)20-10-4-2-3-5-11-23-15-6-7-17-16(12-15)14(8-9-18)13-19-17;/h6-7,12-13,19-20H,2-5,8-11,18H2,1H3;1H.
What are the key properties of N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride?
N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 2.58, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 22097965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).