3-(1-cyclobutylpiperidin-4-yl)sulfonyl-1H-indole

C17H22N2O2S — CID 175632717

IUPAC3-(1-cyclobutylpiperidin-4-yl)sulfonyl-1H-indole
SMILESO=S(=O)(c1c[nH]c2ccccc12)C1CCN(C2CCC2)CC1
InChIInChI=1S/C17H22N2O2S/c20-22(21,17-12-18-16-7-2-1-6-15(16)17)14-8-10-19(11-9-14)13-4-3-5-13/h1-2,6-7,12-14,18H,3-5,8-11H2
InChIKeyALNJPSVSMIETLX-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.96
Rot. Bonds3

About 3-(1-cyclobutylpiperidin-4-yl)sulfonyl-1H-indole

3-(1-cyclobutylpiperidin-4-yl)sulfonyl-1H-indole (PubChem CID 175632717) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-(1-cyclobutylpiperidin-4-yl)sulfonyl-1H-indole.

Molecular Properties

Compound Name3-(1-cyclobutylpiperidin-4-yl)sulfonyl-1H-indole
PubChem CID175632717
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name3-(1-cyclobutylpiperidin-4-yl)sulfonyl-1H-indole
SMILESO=S(=O)(c1c[nH]c2ccccc12)C1CCN(C2CCC2)CC1
InChIInChI=1S/C17H22N2O2S/c20-22(21,17-12-18-16-7-2-1-6-15(16)17)14-8-10-19(11-9-14)13-4-3-5-13/h1-2,6-7,12-14,18H,3-5,8-11H2
InChIKeyALNJPSVSMIETLX-UHFFFAOYSA-N
XLogP2.96
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-cyclobutylpiperidin-4-yl)sulfonyl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1H-indole
CID 175632553
3-methylsulfonyl-1H-indole
CID 86767790
1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 167910792
2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 152768012
N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 167818595
1H-indole-3-sulfonohydrazide
CID 82284140
1H-indole;3-methylsulfonyl-1H-indole
CID 167634446
1H-indol-3-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592330
3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole
CID 110711055
3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1H-indole
CID 56574161
3-(4-ethylpiperazin-1-yl)sulfonyl-1H-indole
CID 176872867
N-chloro-1H-indole-3-sulfonamide
CID 90719858

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclobutylpiperidin-4-yl)sulfonyl-1H-indole?
The IUPAC name of 3-(1-cyclobutylpiperidin-4-yl)sulfonyl-1H-indole (CID 175632717) is 3-(1-cyclobutylpiperidin-4-yl)sulfonyl-1H-indole.
What is the SMILES notation for 3-(1-cyclobutylpiperidin-4-yl)sulfonyl-1H-indole?
The canonical SMILES for 3-(1-cyclobutylpiperidin-4-yl)sulfonyl-1H-indole is O=S(=O)(c1c[nH]c2ccccc12)C1CCN(C2CCC2)CC1.
What is the InChIKey of 3-(1-cyclobutylpiperidin-4-yl)sulfonyl-1H-indole?
The InChIKey is ALNJPSVSMIETLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c20-22(21,17-12-18-16-7-2-1-6-15(16)17)14-8-10-19(11-9-14)13-4-3-5-13/h1-2,6-7,12-14,18H,3-5,8-11H2.
What are the key properties of 3-(1-cyclobutylpiperidin-4-yl)sulfonyl-1H-indole?
3-(1-cyclobutylpiperidin-4-yl)sulfonyl-1H-indole has a molecular weight of 318.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclobutylpiperidin-4-yl)sulfonyl-1H-indole is sourced from PubChem (CID 175632717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).