decanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide

C24H40N3O4S- — CID 21188875

IUPACdecanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
SMILESCCCCCCCCCC(=O)[O-].CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C14H21N3O2S.C10H20O2/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3;1-2-3-4-5-6-7-8-9-10(11)12/h4-5,8-9,15-16H,6-7,10H2,1-3H3;2-9H2,1H3,(H,11,12)/p-1
InChIKeyDJKQNUYBMBBUCK-UHFFFAOYSA-M
MW466.67 g/mol
LogP3.20
Rot. Bonds14

About decanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide

decanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide (PubChem CID 21188875) has the molecular formula C24H40N3O4S- and a molecular weight of 466.67 g/mol. Its IUPAC name is decanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Namedecanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
PubChem CID21188875
Molecular FormulaC24H40N3O4S-
Molecular Weight466.67 g/mol
Exact Mass466.27
IUPAC Namedecanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
SMILESCCCCCCCCCC(=O)[O-].CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C14H21N3O2S.C10H20O2/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3;1-2-3-4-5-6-7-8-9-10(11)12/h4-5,8-9,15-16H,6-7,10H2,1-3H3;2-9H2,1H3,(H,11,12)/p-1
InChIKeyDJKQNUYBMBBUCK-UHFFFAOYSA-M
XLogP3.20
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.67
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(1-[3-[2-[bis(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide);butanedioic acid
CID 131873425
1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 10660550
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
CID 67085783
1-[3-[[3-[2-(dimethylamino)ethyl]-5-(methylsulfamoylmethyl)-1H-indol-2-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 169438957
1-[3-[2,2-dideuterio-2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;N,N-dimethyl-2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]acetamide
CID 159802843
N-methyl-1-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methanesulfonamide
CID 10826690
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 54706276
1-benzhydryl-4-methylpiperazine;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 118950113
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
CID 118950004
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide;4-chloro-1,1-dimethoxybutane;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;1-(4-hydrazinylphenyl)-N-methylmethanesulfonamide;methane
CID 157430760
4-[4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylsulfonyl-methylamino]oxy-4-oxobutanoyl]oxy-4-oxobutanoic acid
CID 87259431

Frequently Asked Questions

What is the IUPAC name of decanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide?
The IUPAC name of decanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide (CID 21188875) is decanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for decanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide?
The canonical SMILES for decanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide is CCCCCCCCCC(=O)[O-].CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1.
What is the InChIKey of decanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide?
The InChIKey is DJKQNUYBMBBUCK-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H21N3O2S.C10H20O2/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3;1-2-3-4-5-6-7-8-9-10(11)12/h4-5,8-9,15-16H,6-7,10H2,1-3H3;2-9H2,1H3,(H,11,12)/p-1.
What are the key properties of decanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide?
decanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide has a molecular weight of 466.67 g/mol, XLogP of 3.20, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for decanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 21188875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).