1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone

C15H18N2O3S — CID 167956999

IUPAC1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C15H18N2O3S/c1-21(19,20)13-3-2-8-17(10-13)15(18)12-5-4-11-6-7-16-14(11)9-12/h4-7,9,13,16H,2-3,8,10H2,1H3
InChIKeyQTPXAHUFFQZGSY-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.82
Rot. Bonds2

About 1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone

1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone (PubChem CID 167956999) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone
PubChem CID167956999
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C15H18N2O3S/c1-21(19,20)13-3-2-8-17(10-13)15(18)12-5-4-11-6-7-16-14(11)9-12/h4-7,9,13,16H,2-3,8,10H2,1H3
InChIKeyQTPXAHUFFQZGSY-UHFFFAOYSA-N
XLogP1.82
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 94658936
1H-indol-6-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 56724316
[1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 51128572
N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide
CID 42650295
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 90586727
(2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone
CID 55226480
(2-cyclopentylpyrrolidin-1-yl)-(1H-indol-6-yl)methanone
CID 61073765
(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116493
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone
CID 90589712
1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 71862043
1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine
CID 166104926
(3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 128983948

Frequently Asked Questions

What is the IUPAC name of 1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone?
The IUPAC name of 1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone (CID 167956999) is 1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone.
What is the SMILES notation for 1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone?
The canonical SMILES for 1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone is CS(=O)(=O)C1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1.
What is the InChIKey of 1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone?
The InChIKey is QTPXAHUFFQZGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-21(19,20)13-3-2-8-17(10-13)15(18)12-5-4-11-6-7-16-14(11)9-12/h4-7,9,13,16H,2-3,8,10H2,1H3.
What are the key properties of 1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone?
1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone has a molecular weight of 306.39 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone is sourced from PubChem (CID 167956999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).