2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide

C16H21N3O3S — CID 71859701

IUPAC2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide
SMILESCNS(=O)(=O)CC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H21N3O3S/c1-17-23(21,22)11-16(20)19-8-6-12(7-9-19)15-10-13-4-2-3-5-14(13)18-15/h2-5,10,12,17-18H,6-9,11H2,1H3
InChIKeyUUURXLYBKSWPPC-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.42
Rot. Bonds4

About 2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide

2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide (PubChem CID 71859701) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide.

Molecular Properties

Compound Name2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide
PubChem CID71859701
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide
SMILESCNS(=O)(=O)CC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H21N3O3S/c1-17-23(21,22)11-16(20)19-8-6-12(7-9-19)15-10-13-4-2-3-5-14(13)18-15/h2-5,10,12,17-18H,6-9,11H2,1H3
InChIKeyUUURXLYBKSWPPC-UHFFFAOYSA-N
XLogP1.42
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide?
The IUPAC name of 2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide (CID 71859701) is 2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide.
What is the SMILES notation for 2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide?
The canonical SMILES for 2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide is CNS(=O)(=O)CC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide?
The InChIKey is UUURXLYBKSWPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-17-23(21,22)11-16(20)19-8-6-12(7-9-19)15-10-13-4-2-3-5-14(13)18-15/h2-5,10,12,17-18H,6-9,11H2,1H3.
What are the key properties of 2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide?
2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide is sourced from PubChem (CID 71859701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).