1-piperidin-2-yl-3-thiophen-2-ylsulfonylindole

C17H18N2O2S2 — CID 10472826

IUPAC1-piperidin-2-yl-3-thiophen-2-ylsulfonylindole
SMILESO=S(=O)(c1cccs1)c1cn(C2CCCCN2)c2ccccc12
InChIInChI=1S/C17H18N2O2S2/c20-23(21,17-9-5-11-22-17)15-12-19(16-8-3-4-10-18-16)14-7-2-1-6-13(14)15/h1-2,5-7,9,11-12,16,18H,3-4,8,10H2
InChIKeyAQTDZBMVIMRYOM-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.81
Rot. Bonds3

About 1-piperidin-2-yl-3-thiophen-2-ylsulfonylindole

1-piperidin-2-yl-3-thiophen-2-ylsulfonylindole (PubChem CID 10472826) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-piperidin-2-yl-3-thiophen-2-ylsulfonylindole.

Molecular Properties

Compound Name1-piperidin-2-yl-3-thiophen-2-ylsulfonylindole
PubChem CID10472826
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC Name1-piperidin-2-yl-3-thiophen-2-ylsulfonylindole
SMILESO=S(=O)(c1cccs1)c1cn(C2CCCCN2)c2ccccc12
InChIInChI=1S/C17H18N2O2S2/c20-23(21,17-9-5-11-22-17)15-12-19(16-8-3-4-10-18-16)14-7-2-1-6-13(14)15/h1-2,5-7,9,11-12,16,18H,3-4,8,10H2
InChIKeyAQTDZBMVIMRYOM-UHFFFAOYSA-N
XLogP3.81
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-thiophen-2-ylsulfonylpiperidine
CID 117036522
N,N-dicyclohexylthiophene-2-sulfonamide
CID 19682432
N-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide
CID 71641141
N-methyl-N-[(3R)-piperidin-3-yl]thiophene-2-sulfonamide;hydrochloride
CID 71640930
(2S)-2-thiophen-2-ylpiperidine
CID 7022116
3-pyrrolidin-2-ylquinazolin-4-one
CID 117263616
N-[(3R)-piperidin-3-yl]thiophene-2-sulfonamide
CID 71645820
1-(3-methylcyclohexyl)indole-3-sulfonyl chloride
CID 113341476
(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride
CID 42281719
N-[(4-bromophenyl)methyl]-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide
CID 11597429
2-methyl-1-[(2-methylphenyl)methyl]-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)indole
CID 20932675
3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride
CID 69202980

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-2-yl-3-thiophen-2-ylsulfonylindole?
The IUPAC name of 1-piperidin-2-yl-3-thiophen-2-ylsulfonylindole (CID 10472826) is 1-piperidin-2-yl-3-thiophen-2-ylsulfonylindole.
What is the SMILES notation for 1-piperidin-2-yl-3-thiophen-2-ylsulfonylindole?
The canonical SMILES for 1-piperidin-2-yl-3-thiophen-2-ylsulfonylindole is O=S(=O)(c1cccs1)c1cn(C2CCCCN2)c2ccccc12.
What is the InChIKey of 1-piperidin-2-yl-3-thiophen-2-ylsulfonylindole?
The InChIKey is AQTDZBMVIMRYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c20-23(21,17-9-5-11-22-17)15-12-19(16-8-3-4-10-18-16)14-7-2-1-6-13(14)15/h1-2,5-7,9,11-12,16,18H,3-4,8,10H2.
What are the key properties of 1-piperidin-2-yl-3-thiophen-2-ylsulfonylindole?
1-piperidin-2-yl-3-thiophen-2-ylsulfonylindole has a molecular weight of 346.48 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-yl-3-thiophen-2-ylsulfonylindole is sourced from PubChem (CID 10472826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).