2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole

C18H26N2O2S — CID 113088698

IUPAC2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole
SMILESCCCCS(=O)(=O)N1CCCC(c2cc3cc(C)ccc3[nH]2)C1
InChIInChI=1S/C18H26N2O2S/c1-3-4-10-23(21,22)20-9-5-6-15(13-20)18-12-16-11-14(2)7-8-17(16)19-18/h7-8,11-12,15,19H,3-6,9-10,13H2,1-2H3
InChIKeyCOWPLZPNNNBAPP-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.79
Rot. Bonds5

About 2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole

2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole (PubChem CID 113088698) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole.

Molecular Properties

Compound Name2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole
PubChem CID113088698
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole
SMILESCCCCS(=O)(=O)N1CCCC(c2cc3cc(C)ccc3[nH]2)C1
InChIInChI=1S/C18H26N2O2S/c1-3-4-10-23(21,22)20-9-5-6-15(13-20)18-12-16-11-14(2)7-8-17(16)19-18/h7-8,11-12,15,19H,3-6,9-10,13H2,1-2H3
InChIKeyCOWPLZPNNNBAPP-UHFFFAOYSA-N
XLogP3.79
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole
CID 113088695
2-(1-propylsulfonylpiperidin-3-yl)-1H-indole
CID 113088602
5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole
CID 113088701
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088702
2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole
CID 113088700
1-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]pentan-1-one
CID 113088645
2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088723
5-methyl-2-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]-1H-indole
CID 113088100
(3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088680
2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole
CID 113088941
1-butylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine
CID 121188649
2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole
CID 113088605

Frequently Asked Questions

What is the IUPAC name of 2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole?
The IUPAC name of 2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole (CID 113088698) is 2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole.
What is the SMILES notation for 2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole?
The canonical SMILES for 2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole is CCCCS(=O)(=O)N1CCCC(c2cc3cc(C)ccc3[nH]2)C1.
What is the InChIKey of 2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole?
The InChIKey is COWPLZPNNNBAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-3-4-10-23(21,22)20-9-5-6-15(13-20)18-12-16-11-14(2)7-8-17(16)19-18/h7-8,11-12,15,19H,3-6,9-10,13H2,1-2H3.
What are the key properties of 2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole?
2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole has a molecular weight of 334.49 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole is sourced from PubChem (CID 113088698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).