(1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-piperidin-1-ylethanol

C17H26N2O3S — CID 92584707

IUPAC(1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-piperidin-1-ylethanol
SMILESC[C@@H]1Cc2cc([C@H](O)CN3CCCCC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-13-10-15-11-14(6-7-16(15)19(13)23(2,21)22)17(20)12-18-8-4-3-5-9-18/h6-7,11,13,17,20H,3-5,8-10,12H2,1-2H3/t13-,17-/m1/s1
InChIKeyVGCPWXJXJIRKQZ-CXAGYDPISA-N
MW338.47 g/mol
LogP1.92
Rot. Bonds4

About (1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-piperidin-1-ylethanol

(1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-piperidin-1-ylethanol (PubChem CID 92584707) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name(1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-piperidin-1-ylethanol
PubChem CID92584707
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-piperidin-1-ylethanol
SMILESC[C@@H]1Cc2cc([C@H](O)CN3CCCCC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-13-10-15-11-14(6-7-16(15)19(13)23(2,21)22)17(20)12-18-8-4-3-5-9-18/h6-7,11,13,17,20H,3-5,8-10,12H2,1-2H3/t13-,17-/m1/s1
InChIKeyVGCPWXJXJIRKQZ-CXAGYDPISA-N
XLogP1.92
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol
CID 16676851
2-(4-benzylpiperidin-1-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol
CID 46953599
(1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 51593377
4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol
CID 46953602
1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]-4-(3-methylphenyl)piperidin-4-ol
CID 46953607
azepan-1-yl-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone
CID 9036686
azocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 51200417
(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 7129137
1-[5-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 16676708
5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole
CID 84761078
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 46544610
(2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9327258

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-piperidin-1-ylethanol?
The IUPAC name of (1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-piperidin-1-ylethanol (CID 92584707) is (1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-piperidin-1-ylethanol.
What is the SMILES notation for (1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-piperidin-1-ylethanol?
The canonical SMILES for (1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-piperidin-1-ylethanol is C[C@@H]1Cc2cc([C@H](O)CN3CCCCC3)ccc2N1S(C)(=O)=O.
What is the InChIKey of (1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-piperidin-1-ylethanol?
The InChIKey is VGCPWXJXJIRKQZ-CXAGYDPISA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-10-15-11-14(6-7-16(15)19(13)23(2,21)22)17(20)12-18-8-4-3-5-9-18/h6-7,11,13,17,20H,3-5,8-10,12H2,1-2H3/t13-,17-/m1/s1.
What are the key properties of (1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-piperidin-1-ylethanol?
(1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-piperidin-1-ylethanol has a molecular weight of 338.47 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-piperidin-1-ylethanol is sourced from PubChem (CID 92584707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).