2-(1-methyl-3-piperidin-4-ylindol-5-yl)ethanesulfonamide

C16H23N3O2S — CID 67869137

IUPAC2-(1-methyl-3-piperidin-4-ylindol-5-yl)ethanesulfonamide
SMILESCn1cc(C2CCNCC2)c2cc(CCS(N)(=O)=O)ccc21
InChIInChI=1S/C16H23N3O2S/c1-19-11-15(13-4-7-18-8-5-13)14-10-12(2-3-16(14)19)6-9-22(17,20)21/h2-3,10-11,13,18H,4-9H2,1H3,(H2,17,20,21)
InChIKeyDNYBBLCDIYDSKO-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.48
Rot. Bonds4

About 2-(1-methyl-3-piperidin-4-ylindol-5-yl)ethanesulfonamide

2-(1-methyl-3-piperidin-4-ylindol-5-yl)ethanesulfonamide (PubChem CID 67869137) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-(1-methyl-3-piperidin-4-ylindol-5-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(1-methyl-3-piperidin-4-ylindol-5-yl)ethanesulfonamide
PubChem CID67869137
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-(1-methyl-3-piperidin-4-ylindol-5-yl)ethanesulfonamide
SMILESCn1cc(C2CCNCC2)c2cc(CCS(N)(=O)=O)ccc21
InChIInChI=1S/C16H23N3O2S/c1-19-11-15(13-4-7-18-8-5-13)14-10-12(2-3-16(14)19)6-9-22(17,20)21/h2-3,10-11,13,18H,4-9H2,1H3,(H2,17,20,21)
InChIKeyDNYBBLCDIYDSKO-UHFFFAOYSA-N
XLogP1.48
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-piperidin-4-ylindol-5-yl)ethanesulfonamide?
The IUPAC name of 2-(1-methyl-3-piperidin-4-ylindol-5-yl)ethanesulfonamide (CID 67869137) is 2-(1-methyl-3-piperidin-4-ylindol-5-yl)ethanesulfonamide.
What is the SMILES notation for 2-(1-methyl-3-piperidin-4-ylindol-5-yl)ethanesulfonamide?
The canonical SMILES for 2-(1-methyl-3-piperidin-4-ylindol-5-yl)ethanesulfonamide is Cn1cc(C2CCNCC2)c2cc(CCS(N)(=O)=O)ccc21.
What is the InChIKey of 2-(1-methyl-3-piperidin-4-ylindol-5-yl)ethanesulfonamide?
The InChIKey is DNYBBLCDIYDSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-19-11-15(13-4-7-18-8-5-13)14-10-12(2-3-16(14)19)6-9-22(17,20)21/h2-3,10-11,13,18H,4-9H2,1H3,(H2,17,20,21).
What are the key properties of 2-(1-methyl-3-piperidin-4-ylindol-5-yl)ethanesulfonamide?
2-(1-methyl-3-piperidin-4-ylindol-5-yl)ethanesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-piperidin-4-ylindol-5-yl)ethanesulfonamide is sourced from PubChem (CID 67869137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).