3-(2-tert-butylsulfonylprop-2-enyl)-1H-indole

C15H19NO2S — CID 13416238

IUPAC3-(2-tert-butylsulfonylprop-2-enyl)-1H-indole
SMILESC=C(Cc1c[nH]c2ccccc12)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H19NO2S/c1-11(19(17,18)15(2,3)4)9-12-10-16-14-8-6-5-7-13(12)14/h5-8,10,16H,1,9H2,2-4H3
InChIKeyZAPAFNVQCYBVNP-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.44
Rot. Bonds3

About 3-(2-tert-butylsulfonylprop-2-enyl)-1H-indole

3-(2-tert-butylsulfonylprop-2-enyl)-1H-indole (PubChem CID 13416238) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-(2-tert-butylsulfonylprop-2-enyl)-1H-indole.

Molecular Properties

Compound Name3-(2-tert-butylsulfonylprop-2-enyl)-1H-indole
PubChem CID13416238
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name3-(2-tert-butylsulfonylprop-2-enyl)-1H-indole
SMILESC=C(Cc1c[nH]c2ccccc12)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H19NO2S/c1-11(19(17,18)15(2,3)4)9-12-10-16-14-8-6-5-7-13(12)14/h5-8,10,16H,1,9H2,2-4H3
InChIKeyZAPAFNVQCYBVNP-UHFFFAOYSA-N
XLogP3.44
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-tert-butylsulfonylprop-2-enyl)-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

2-(1H-indol-3-ylmethyl)prop-2-enoic acid
CID 10081533
barium(2+);1H-indol-3-ylmethanesulfonic acid
CID 54605499
2-(1H-indol-3-ylmethyl)prop-2-enenitrile
CID 101351903
3-ethyl-1H-indole;methanamine
CID 142222050
benzene;2-(dimethylamino)-3-(1H-indol-3-yl)-2-methylpropanoic acid
CID 174391418
[2-carboxy-1-(1H-indol-3-yl)propan-2-yl]-trimethylazanium
CID 91357862
CID 87710053
CID 87710053
N-(1-amino-2-methylpropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 55163528
3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol
CID 57297566
1-(1H-indol-3-yl)propan-2-ylidene-dimethylazanium
CID 164561468
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+)
CID 87710054

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylsulfonylprop-2-enyl)-1H-indole?
The IUPAC name of 3-(2-tert-butylsulfonylprop-2-enyl)-1H-indole (CID 13416238) is 3-(2-tert-butylsulfonylprop-2-enyl)-1H-indole.
What is the SMILES notation for 3-(2-tert-butylsulfonylprop-2-enyl)-1H-indole?
The canonical SMILES for 3-(2-tert-butylsulfonylprop-2-enyl)-1H-indole is C=C(Cc1c[nH]c2ccccc12)S(=O)(=O)C(C)(C)C.
What is the InChIKey of 3-(2-tert-butylsulfonylprop-2-enyl)-1H-indole?
The InChIKey is ZAPAFNVQCYBVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-11(19(17,18)15(2,3)4)9-12-10-16-14-8-6-5-7-13(12)14/h5-8,10,16H,1,9H2,2-4H3.
What are the key properties of 3-(2-tert-butylsulfonylprop-2-enyl)-1H-indole?
3-(2-tert-butylsulfonylprop-2-enyl)-1H-indole has a molecular weight of 277.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylsulfonylprop-2-enyl)-1H-indole is sourced from PubChem (CID 13416238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).