[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol

C15H20N2O3S — CID 123796062

IUPAC[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol
SMILESCS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO
InChIInChI=1S/C15H20N2O3S/c1-21(19,20)17-7-6-11(8-12(17)10-18)14-9-16-15-5-3-2-4-13(14)15/h2-5,9,11-12,16,18H,6-8,10H2,1H3
InChIKeySBJYREPUCMNICS-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.67
Rot. Bonds3

About [4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol

[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol (PubChem CID 123796062) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is [4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol
PubChem CID123796062
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol
SMILESCS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO
InChIInChI=1S/C15H20N2O3S/c1-21(19,20)17-7-6-11(8-12(17)10-18)14-9-16-15-5-3-2-4-13(14)15/h2-5,9,11-12,16,18H,6-8,10H2,1H3
InChIKeySBJYREPUCMNICS-UHFFFAOYSA-N
XLogP1.67
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 118145759
3-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-1H-indole
CID 113086472
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-(1-butylsulfonylpiperidin-4-yl)-1H-indole
CID 84562582
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
N-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine
CID 144855051
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanamine;1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 157301954
2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 152768012
3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole
CID 110711055
ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039
3-[1-(4-methylsulfonyl-2-nitrophenyl)piperidin-4-yl]-1H-indole
CID 134045206

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol?
The IUPAC name of [4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol (CID 123796062) is [4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol.
What is the SMILES notation for [4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol?
The canonical SMILES for [4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol is CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1CO.
What is the InChIKey of [4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol?
The InChIKey is SBJYREPUCMNICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-21(19,20)17-7-6-11(8-12(17)10-18)14-9-16-15-5-3-2-4-13(14)15/h2-5,9,11-12,16,18H,6-8,10H2,1H3.
What are the key properties of [4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol?
[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol has a molecular weight of 308.40 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol is sourced from PubChem (CID 123796062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).