N-ethyl-N-methyl-2-(5-methylsulfonyl-1H-indol-3-yl)ethanamine;molecular hydrogen

C14H22N2O2S — CID 177026314

IUPACN-ethyl-N-methyl-2-(5-methylsulfonyl-1H-indol-3-yl)ethanamine;molecular hydrogen
SMILESCCN(C)CCc1c[nH]c2ccc(S(C)(=O)=O)cc12.[H][H]
InChIInChI=1S/C14H20N2O2S.H2/c1-4-16(2)8-7-11-10-15-14-6-5-12(9-13(11)14)19(3,17)18;/h5-6,9-10,15H,4,7-8H2,1-3H3;1H
InChIKeyNFYRLXKWXSAGTP-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.31
Rot. Bonds5

About N-ethyl-N-methyl-2-(5-methylsulfonyl-1H-indol-3-yl)ethanamine;molecular hydrogen

N-ethyl-N-methyl-2-(5-methylsulfonyl-1H-indol-3-yl)ethanamine;molecular hydrogen (PubChem CID 177026314) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(5-methylsulfonyl-1H-indol-3-yl)ethanamine;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(5-methylsulfonyl-1H-indol-3-yl)ethanamine;molecular hydrogen
PubChem CID177026314
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-ethyl-N-methyl-2-(5-methylsulfonyl-1H-indol-3-yl)ethanamine;molecular hydrogen
SMILESCCN(C)CCc1c[nH]c2ccc(S(C)(=O)=O)cc12.[H][H]
InChIInChI=1S/C14H20N2O2S.H2/c1-4-16(2)8-7-11-10-15-14-6-5-12(9-13(11)14)19(3,17)18;/h5-6,9-10,15H,4,7-8H2,1-3H3;1H
InChIKeyNFYRLXKWXSAGTP-UHFFFAOYSA-N
XLogP2.31
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methylsulfonyl-1H-indol-3-yl)propanoic acid
CID 83984871
N-ethyl-2-(5-isocyano-1H-indol-3-yl)-N-methylethanamine
CID 162773393
1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine
CID 12575718
3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide
CID 19844112
[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate
CID 169222529
3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile
CID 156836179
N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine
CID 177026311
4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide
CID 92761200
3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
CID 171726295
2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
CID 169001087
4-[[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl]oxy]-4-oxobutanoic acid
CID 169222132
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(5-methylsulfonyl-1H-indol-3-yl)ethanamine;molecular hydrogen?
The IUPAC name of N-ethyl-N-methyl-2-(5-methylsulfonyl-1H-indol-3-yl)ethanamine;molecular hydrogen (CID 177026314) is N-ethyl-N-methyl-2-(5-methylsulfonyl-1H-indol-3-yl)ethanamine;molecular hydrogen.
What is the SMILES notation for N-ethyl-N-methyl-2-(5-methylsulfonyl-1H-indol-3-yl)ethanamine;molecular hydrogen?
The canonical SMILES for N-ethyl-N-methyl-2-(5-methylsulfonyl-1H-indol-3-yl)ethanamine;molecular hydrogen is CCN(C)CCc1c[nH]c2ccc(S(C)(=O)=O)cc12.[H][H].
What is the InChIKey of N-ethyl-N-methyl-2-(5-methylsulfonyl-1H-indol-3-yl)ethanamine;molecular hydrogen?
The InChIKey is NFYRLXKWXSAGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S.H2/c1-4-16(2)8-7-11-10-15-14-6-5-12(9-13(11)14)19(3,17)18;/h5-6,9-10,15H,4,7-8H2,1-3H3;1H.
What are the key properties of N-ethyl-N-methyl-2-(5-methylsulfonyl-1H-indol-3-yl)ethanamine;molecular hydrogen?
N-ethyl-N-methyl-2-(5-methylsulfonyl-1H-indol-3-yl)ethanamine;molecular hydrogen has a molecular weight of 282.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(5-methylsulfonyl-1H-indol-3-yl)ethanamine;molecular hydrogen is sourced from PubChem (CID 177026314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).