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

C26H33N3O2S — CID 141164136

IUPACN-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]cyclobutanamine
SMILESCCS(=O)(=O)N1CCC(c2c[nH]c3ccc(-c4ccc(CNC5CCC5)cc4)cc23)CC1
InChIInChI=1S/C26H33N3O2S/c1-2-32(30,31)29-14-12-21(13-15-29)25-18-28-26-11-10-22(16-24(25)26)20-8-6-19(7-9-20)17-27-23-4-3-5-23/h6-11,16,18,21,23,27-28H,2-5,12-15,17H2,1H3
InChIKeyYCVXOVLVSJJCIS-UHFFFAOYSA-N
MW451.64 g/mol
LogP5.01
Rot. Bonds7

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

N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]cyclobutanamine (PubChem CID 141164136) has the molecular formula C26H33N3O2S and a molecular weight of 451.64 g/mol. Its IUPAC name is N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]cyclobutanamine
PubChem CID141164136
Molecular FormulaC26H33N3O2S
Molecular Weight451.64 g/mol
Exact Mass451.23
IUPAC NameN-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]cyclobutanamine
SMILESCCS(=O)(=O)N1CCC(c2c[nH]c3ccc(-c4ccc(CNC5CCC5)cc4)cc23)CC1
InChIInChI=1S/C26H33N3O2S/c1-2-32(30,31)29-14-12-21(13-15-29)25-18-28-26-11-10-22(16-24(25)26)20-8-6-19(7-9-20)17-27-23-4-3-5-23/h6-11,16,18,21,23,27-28H,2-5,12-15,17H2,1H3
InChIKeyYCVXOVLVSJJCIS-UHFFFAOYSA-N
XLogP5.01
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.64
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]cyclobutanamine with MolForge

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Related Compounds

N-[3-[4-[5-(4-ethylphenyl)-1H-indol-3-yl]piperidin-1-yl]sulfonylpropyl]cyclopentanamine
CID 141141031
N-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine
CID 141164179
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
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
5-(4-methylphenyl)-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole
CID 141141081
1-[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]-N,N-dimethylmethanamine
CID 141164135
N-[[5-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]thiophen-2-yl]methyl]butan-1-amine
CID 141164204
5-[4-[(butanoylamino)methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 66722998
1-[3-[4-(5-phenyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpropyl]piperidin-4-ol
CID 141141048
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-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]cyclobutanamine?
The IUPAC name of N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]cyclobutanamine (CID 141164136) is N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]cyclobutanamine.
What is the SMILES notation for N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]cyclobutanamine?
The canonical SMILES for N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]cyclobutanamine is CCS(=O)(=O)N1CCC(c2c[nH]c3ccc(-c4ccc(CNC5CCC5)cc4)cc23)CC1.
What is the InChIKey of N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]cyclobutanamine?
The InChIKey is YCVXOVLVSJJCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2S/c1-2-32(30,31)29-14-12-21(13-15-29)25-18-28-26-11-10-22(16-24(25)26)20-8-6-19(7-9-20)17-27-23-4-3-5-23/h6-11,16,18,21,23,27-28H,2-5,12-15,17H2,1H3.
What are the key properties of N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]cyclobutanamine?
N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]cyclobutanamine has a molecular weight of 451.64 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]cyclobutanamine is sourced from PubChem (CID 141164136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).