2-(1-propylsulfonylpiperidin-3-yl)-1H-indole

C16H22N2O2S — CID 113088602

IUPAC2-(1-propylsulfonylpiperidin-3-yl)-1H-indole
SMILESCCCS(=O)(=O)N1CCCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C16H22N2O2S/c1-2-10-21(19,20)18-9-5-7-14(12-18)16-11-13-6-3-4-8-15(13)17-16/h3-4,6,8,11,14,17H,2,5,7,9-10,12H2,1H3
InChIKeyCUIKWIBWXWKEFJ-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.09
Rot. Bonds4

About 2-(1-propylsulfonylpiperidin-3-yl)-1H-indole

2-(1-propylsulfonylpiperidin-3-yl)-1H-indole (PubChem CID 113088602) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(1-propylsulfonylpiperidin-3-yl)-1H-indole.

Molecular Properties

Compound Name2-(1-propylsulfonylpiperidin-3-yl)-1H-indole
PubChem CID113088602
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-(1-propylsulfonylpiperidin-3-yl)-1H-indole
SMILESCCCS(=O)(=O)N1CCCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C16H22N2O2S/c1-2-10-21(19,20)18-9-5-7-14(12-18)16-11-13-6-3-4-8-15(13)17-16/h3-4,6,8,11,14,17H,2,5,7,9-10,12H2,1H3
InChIKeyCUIKWIBWXWKEFJ-UHFFFAOYSA-N
XLogP3.09
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole
CID 113088698
2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole
CID 113088605
1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one
CID 113088532
1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 113088531
N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 51728621
2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole
CID 113088700
5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole
CID 113088695
2-[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-1H-indole
CID 113088376
2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088564
2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088723
2-cyclohexyl-1H-indole
CID 607977
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088702

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylsulfonylpiperidin-3-yl)-1H-indole?
The IUPAC name of 2-(1-propylsulfonylpiperidin-3-yl)-1H-indole (CID 113088602) is 2-(1-propylsulfonylpiperidin-3-yl)-1H-indole.
What is the SMILES notation for 2-(1-propylsulfonylpiperidin-3-yl)-1H-indole?
The canonical SMILES for 2-(1-propylsulfonylpiperidin-3-yl)-1H-indole is CCCS(=O)(=O)N1CCCC(c2cc3ccccc3[nH]2)C1.
What is the InChIKey of 2-(1-propylsulfonylpiperidin-3-yl)-1H-indole?
The InChIKey is CUIKWIBWXWKEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-2-10-21(19,20)18-9-5-7-14(12-18)16-11-13-6-3-4-8-15(13)17-16/h3-4,6,8,11,14,17H,2,5,7,9-10,12H2,1H3.
What are the key properties of 2-(1-propylsulfonylpiperidin-3-yl)-1H-indole?
2-(1-propylsulfonylpiperidin-3-yl)-1H-indole has a molecular weight of 306.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylsulfonylpiperidin-3-yl)-1H-indole is sourced from PubChem (CID 113088602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).