1-(2-indol-1-ylpropanoyl)-N-methylpiperidine-4-sulfonamide

C17H23N3O3S — CID 16661921

IUPAC1-(2-indol-1-ylpropanoyl)-N-methylpiperidine-4-sulfonamide
SMILESCNS(=O)(=O)C1CCN(C(=O)C(C)n2ccc3ccccc32)CC1
InChIInChI=1S/C17H23N3O3S/c1-13(20-12-7-14-5-3-4-6-16(14)20)17(21)19-10-8-15(9-11-19)24(22,23)18-2/h3-7,12-13,15,18H,8-11H2,1-2H3
InChIKeyBPQBQPVRTRZQRX-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.74
Rot. Bonds4

About 1-(2-indol-1-ylpropanoyl)-N-methylpiperidine-4-sulfonamide

1-(2-indol-1-ylpropanoyl)-N-methylpiperidine-4-sulfonamide (PubChem CID 16661921) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-(2-indol-1-ylpropanoyl)-N-methylpiperidine-4-sulfonamide.

Molecular Properties

Compound Name1-(2-indol-1-ylpropanoyl)-N-methylpiperidine-4-sulfonamide
PubChem CID16661921
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name1-(2-indol-1-ylpropanoyl)-N-methylpiperidine-4-sulfonamide
SMILESCNS(=O)(=O)C1CCN(C(=O)C(C)n2ccc3ccccc32)CC1
InChIInChI=1S/C17H23N3O3S/c1-13(20-12-7-14-5-3-4-6-16(14)20)17(21)19-10-8-15(9-11-19)24(22,23)18-2/h3-7,12-13,15,18H,8-11H2,1-2H3
InChIKeyBPQBQPVRTRZQRX-UHFFFAOYSA-N
XLogP1.74
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(2R)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 89403897
4-[1-[(2S)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 158574790
4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 157330587
2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 103475166
(2R)-1-piperidin-1-yl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propan-1-one
CID 92723143
2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one
CID 70802953
1-(1-cyclopropylethyl)indole
CID 145022878
1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone
CID 71805982
4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen
CID 160915689
2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918614
4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 59466385
4-[4-[2-(6-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 59465765

Frequently Asked Questions

What is the IUPAC name of 1-(2-indol-1-ylpropanoyl)-N-methylpiperidine-4-sulfonamide?
The IUPAC name of 1-(2-indol-1-ylpropanoyl)-N-methylpiperidine-4-sulfonamide (CID 16661921) is 1-(2-indol-1-ylpropanoyl)-N-methylpiperidine-4-sulfonamide.
What is the SMILES notation for 1-(2-indol-1-ylpropanoyl)-N-methylpiperidine-4-sulfonamide?
The canonical SMILES for 1-(2-indol-1-ylpropanoyl)-N-methylpiperidine-4-sulfonamide is CNS(=O)(=O)C1CCN(C(=O)C(C)n2ccc3ccccc32)CC1.
What is the InChIKey of 1-(2-indol-1-ylpropanoyl)-N-methylpiperidine-4-sulfonamide?
The InChIKey is BPQBQPVRTRZQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-13(20-12-7-14-5-3-4-6-16(14)20)17(21)19-10-8-15(9-11-19)24(22,23)18-2/h3-7,12-13,15,18H,8-11H2,1-2H3.
What are the key properties of 1-(2-indol-1-ylpropanoyl)-N-methylpiperidine-4-sulfonamide?
1-(2-indol-1-ylpropanoyl)-N-methylpiperidine-4-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-indol-1-ylpropanoyl)-N-methylpiperidine-4-sulfonamide is sourced from PubChem (CID 16661921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).