4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indole

C19H26N2O3S — CID 159103206

IUPAC4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indole
SMILESCS(=O)(=O)N1CCC(c2cc(C3CCOCC3)cc3[nH]ccc23)CC1
InChIInChI=1S/C19H26N2O3S/c1-25(22,23)21-8-3-15(4-9-21)18-12-16(14-5-10-24-11-6-14)13-19-17(18)2-7-20-19/h2,7,12-15,20H,3-6,8-11H2,1H3
InChIKeyZEUCJTYEAASVGK-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.20
Rot. Bonds3

About 4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indole

4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indole (PubChem CID 159103206) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indole.

Molecular Properties

Compound Name4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indole
PubChem CID159103206
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indole
SMILESCS(=O)(=O)N1CCC(c2cc(C3CCOCC3)cc3[nH]ccc23)CC1
InChIInChI=1S/C19H26N2O3S/c1-25(22,23)21-8-3-15(4-9-21)18-12-16(14-5-10-24-11-6-14)13-19-17(18)2-7-20-19/h2,7,12-15,20H,3-6,8-11H2,1H3
InChIKeyZEUCJTYEAASVGK-UHFFFAOYSA-N
XLogP3.20
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 97064531
N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110730828
methyl-methylidene-oxo-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane
CID 159505276
2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 47320292
3-(1-methylsulfonylazepan-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one
CID 67278332
3-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 118967681
2,6-difluoro-3-methyl-5-[6-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-3-yl]phenol
CID 163235062
[5-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]boronic acid
CID 70827711
(3R)-3-methyl-4-[6-(1-methylsulfonylpyrrolidin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
CID 137498333
(6R)-5-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4,4,6-trideuterio-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-7H-pyrazolo[1,5-a]pyrazine
CID 118720878
(7R)-7-methyl-6-[6-(3-methylcyclobutyl)oxy-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 155061625
4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 110873280

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indole?
The IUPAC name of 4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indole (CID 159103206) is 4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indole.
What is the SMILES notation for 4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indole?
The canonical SMILES for 4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indole is CS(=O)(=O)N1CCC(c2cc(C3CCOCC3)cc3[nH]ccc23)CC1.
What is the InChIKey of 4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indole?
The InChIKey is ZEUCJTYEAASVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-25(22,23)21-8-3-15(4-9-21)18-12-16(14-5-10-24-11-6-14)13-19-17(18)2-7-20-19/h2,7,12-15,20H,3-6,8-11H2,1H3.
What are the key properties of 4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indole?
4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indole has a molecular weight of 362.50 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonylpiperidin-4-yl)-6-(oxan-4-yl)-1H-indole is sourced from PubChem (CID 159103206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).