(1S)-1-[6-(1-piperidin-1-ylsulfonylindol-5-yl)-2-pyridinyl]ethane-1,2-diol

C20H23N3O4S — CID 118414041

IUPAC(1S)-1-[6-(1-piperidin-1-ylsulfonylindol-5-yl)-2-pyridinyl]ethane-1,2-diol
SMILESO=S(=O)(N1CCCCC1)n1ccc2cc(-c3cccc([C@H](O)CO)n3)ccc21
InChIInChI=1S/C20H23N3O4S/c24-14-20(25)18-6-4-5-17(21-18)15-7-8-19-16(13-15)9-12-23(19)28(26,27)22-10-2-1-3-11-22/h4-9,12-13,20,24-25H,1-3,10-11,14H2/t20-/m1/s1
InChIKeyBPXILGVANFJPFN-HXUWFJFHSA-N
MW401.49 g/mol
LogP2.31
Rot. Bonds5

About (1S)-1-[6-(1-piperidin-1-ylsulfonylindol-5-yl)-2-pyridinyl]ethane-1,2-diol

(1S)-1-[6-(1-piperidin-1-ylsulfonylindol-5-yl)-2-pyridinyl]ethane-1,2-diol (PubChem CID 118414041) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is (1S)-1-[6-(1-piperidin-1-ylsulfonylindol-5-yl)-2-pyridinyl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[6-(1-piperidin-1-ylsulfonylindol-5-yl)-2-pyridinyl]ethane-1,2-diol
PubChem CID118414041
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name(1S)-1-[6-(1-piperidin-1-ylsulfonylindol-5-yl)-2-pyridinyl]ethane-1,2-diol
SMILESO=S(=O)(N1CCCCC1)n1ccc2cc(-c3cccc([C@H](O)CO)n3)ccc21
InChIInChI=1S/C20H23N3O4S/c24-14-20(25)18-6-4-5-17(21-18)15-7-8-19-16(13-15)9-12-23(19)28(26,27)22-10-2-1-3-11-22/h4-9,12-13,20,24-25H,1-3,10-11,14H2/t20-/m1/s1
InChIKeyBPXILGVANFJPFN-HXUWFJFHSA-N
XLogP2.31
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(1-piperidin-1-ylsulfonylindol-5-yl)-2-pyridinyl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[6-(1-piperidin-1-ylsulfonylindol-5-yl)-2-pyridinyl]ethane-1,2-diol (CID 118414041) is (1S)-1-[6-(1-piperidin-1-ylsulfonylindol-5-yl)-2-pyridinyl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[6-(1-piperidin-1-ylsulfonylindol-5-yl)-2-pyridinyl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[6-(1-piperidin-1-ylsulfonylindol-5-yl)-2-pyridinyl]ethane-1,2-diol is O=S(=O)(N1CCCCC1)n1ccc2cc(-c3cccc([C@H](O)CO)n3)ccc21.
What is the InChIKey of (1S)-1-[6-(1-piperidin-1-ylsulfonylindol-5-yl)-2-pyridinyl]ethane-1,2-diol?
The InChIKey is BPXILGVANFJPFN-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23N3O4S/c24-14-20(25)18-6-4-5-17(21-18)15-7-8-19-16(13-15)9-12-23(19)28(26,27)22-10-2-1-3-11-22/h4-9,12-13,20,24-25H,1-3,10-11,14H2/t20-/m1/s1.
What are the key properties of (1S)-1-[6-(1-piperidin-1-ylsulfonylindol-5-yl)-2-pyridinyl]ethane-1,2-diol?
(1S)-1-[6-(1-piperidin-1-ylsulfonylindol-5-yl)-2-pyridinyl]ethane-1,2-diol has a molecular weight of 401.49 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-(1-piperidin-1-ylsulfonylindol-5-yl)-2-pyridinyl]ethane-1,2-diol is sourced from PubChem (CID 118414041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).