6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole

C14H17FN2O2S — CID 97064531

IUPAC6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
SMILESCS(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C14H17FN2O2S/c1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-8-11(15)2-3-12(13)14/h2-3,8-10,16H,4-7H2,1H3
InChIKeyRKBVZYNWCHVAMX-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.45
Rot. Bonds2

About 6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole

6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole (PubChem CID 97064531) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
PubChem CID97064531
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
SMILESCS(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C14H17FN2O2S/c1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-8-11(15)2-3-12(13)14/h2-3,8-10,16H,4-7H2,1H3
InChIKeyRKBVZYNWCHVAMX-UHFFFAOYSA-N
XLogP2.45
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087664
ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141567
methyl-methylidene-oxo-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane
CID 159505276
6-(6-fluoro-1H-indol-3-yl)-2-(1-methylsulfonylpiperidin-4-yl)-3H-indole
CID 160852416
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one
CID 113087593
4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673262
3-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-5-fluoro-1H-indole
CID 113087436
methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate
CID 91660760
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120636397
2-(6-fluoro-1H-indol-3-yl)-N-(1-methylsulfonylpyrrolidin-3-yl)acetamide
CID 138003196

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole?
The IUPAC name of 6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole (CID 97064531) is 6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole is CS(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole?
The InChIKey is RKBVZYNWCHVAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-8-11(15)2-3-12(13)14/h2-3,8-10,16H,4-7H2,1H3.
What are the key properties of 6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole?
6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole has a molecular weight of 296.37 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 97064531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).