N-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine

C26H35N3O2S — CID 141164179

IUPACN-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(-c2ccc3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)cc1
InChIInChI=1S/C26H35N3O2S/c1-4-28(5-2)19-20-7-9-21(10-8-20)23-11-12-26-24(17-23)25(18-27-26)22-13-15-29(16-14-22)32(30,31)6-3/h7-12,17-18,22,27H,4-6,13-16,19H2,1-3H3
InChIKeyUIYJKAIOKUZYKK-UHFFFAOYSA-N
MW453.65 g/mol
LogP5.21
Rot. Bonds8

About N-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine

N-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine (PubChem CID 141164179) has the molecular formula C26H35N3O2S and a molecular weight of 453.65 g/mol. Its IUPAC name is N-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine
PubChem CID141164179
Molecular FormulaC26H35N3O2S
Molecular Weight453.65 g/mol
Exact Mass453.24
IUPAC NameN-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(-c2ccc3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)cc1
InChIInChI=1S/C26H35N3O2S/c1-4-28(5-2)19-20-7-9-21(10-8-20)23-11-12-26-24(17-23)25(18-27-26)22-13-15-29(16-14-22)32(30,31)6-3/h7-12,17-18,22,27H,4-6,13-16,19H2,1-3H3
InChIKeyUIYJKAIOKUZYKK-UHFFFAOYSA-N
XLogP5.21
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.65
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]cyclobutanamine
CID 141164136
1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine
CID 141164135
N-[3-[4-[5-(4-ethylphenyl)-1H-indol-3-yl]piperidin-1-yl]sulfonylpropyl]cyclopentanamine
CID 141141031
1-[5-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-3-yl]-N-methylmethanamine
CID 141164155
3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-indole
CID 141164181
5-(4-methylphenyl)-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole
CID 141141081
N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]pentanamide
CID 141164185
N-[[3-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]hexanamide
CID 141164206
1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol
CID 141141048
N-[[5-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]methyl]butan-1-amine
CID 141164204
3-[1-[3-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole
CID 141141054
3-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropoxy]phenol
CID 141141069

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine (CID 141164179) is N-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine is CCN(CC)Cc1ccc(-c2ccc3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)cc1.
What is the InChIKey of N-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine?
The InChIKey is UIYJKAIOKUZYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2S/c1-4-28(5-2)19-20-7-9-21(10-8-20)23-11-12-26-24(17-23)25(18-27-26)22-13-15-29(16-14-22)32(30,31)6-3/h7-12,17-18,22,27H,4-6,13-16,19H2,1-3H3.
What are the key properties of N-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine?
N-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine has a molecular weight of 453.65 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine is sourced from PubChem (CID 141164179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).