7-[(2S)-1-phenylmethoxypropan-2-yl]oxyimidazo[1,2-a]pyridine-6-sulfinate

C17H17N2O4S- — CID 172632025

IUPAC7-[(2S)-1-phenylmethoxypropan-2-yl]oxyimidazo[1,2-a]pyridine-6-sulfinate
SMILESC[C@@H](COCc1ccccc1)Oc1cc2nccn2cc1S(=O)[O-]
InChIInChI=1S/C17H18N2O4S/c1-13(11-22-12-14-5-3-2-4-6-14)23-15-9-17-18-7-8-19(17)10-16(15)24(20)21/h2-10,13H,11-12H2,1H3,(H,20,21)/p-1/t13-/m0/s1
InChIKeyNNIOXSSWUAXFDM-ZDUSSCGKSA-M
MW345.40 g/mol
LogP2.56
Rot. Bonds7

About 7-[(2S)-1-phenylmethoxypropan-2-yl]oxyimidazo[1,2-a]pyridine-6-sulfinate

7-[(2S)-1-phenylmethoxypropan-2-yl]oxyimidazo[1,2-a]pyridine-6-sulfinate (PubChem CID 172632025) has the molecular formula C17H17N2O4S- and a molecular weight of 345.40 g/mol. Its IUPAC name is 7-[(2S)-1-phenylmethoxypropan-2-yl]oxyimidazo[1,2-a]pyridine-6-sulfinate.

Molecular Properties

Compound Name7-[(2S)-1-phenylmethoxypropan-2-yl]oxyimidazo[1,2-a]pyridine-6-sulfinate
PubChem CID172632025
Molecular FormulaC17H17N2O4S-
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name7-[(2S)-1-phenylmethoxypropan-2-yl]oxyimidazo[1,2-a]pyridine-6-sulfinate
SMILESC[C@@H](COCc1ccccc1)Oc1cc2nccn2cc1S(=O)[O-]
InChIInChI=1S/C17H18N2O4S/c1-13(11-22-12-14-5-3-2-4-6-14)23-15-9-17-18-7-8-19(17)10-16(15)24(20)21/h2-10,13H,11-12H2,1H3,(H,20,21)/p-1/t13-/m0/s1
InChIKeyNNIOXSSWUAXFDM-ZDUSSCGKSA-M
XLogP2.56
TPSA75.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

6-tert-butylsulfonyl-7-[(2R)-2-phenylmethoxypropoxy]imidazo[1,2-a]pyridine
CID 172631800
6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine
CID 134366014
2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene
CID 122595271
[(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite
CID 89164243
2,2-di(propan-2-yloxy)ethoxymethylbenzene
CID 102410390
CID 89311949
CID 89311949
2-(hydroxymethyl)-3-methoxy-4-[(2R)-1-phenylmethoxypropan-2-yl]oxybenzoic acid
CID 174249647
(3R)-3-methyl-4-phenylmethoxybutanenitrile
CID 69233531
(4-butan-2-yloxy-6-methyl-2-phenylmethoxy-3-pyridinyl)methyl methanesulfinate
CID 126599269
7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridine
CID 170993941
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
2-phenylmethoxyethane-1,1-diol
CID 59866645

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-phenylmethoxypropan-2-yl]oxyimidazo[1,2-a]pyridine-6-sulfinate?
The IUPAC name of 7-[(2S)-1-phenylmethoxypropan-2-yl]oxyimidazo[1,2-a]pyridine-6-sulfinate (CID 172632025) is 7-[(2S)-1-phenylmethoxypropan-2-yl]oxyimidazo[1,2-a]pyridine-6-sulfinate.
What is the SMILES notation for 7-[(2S)-1-phenylmethoxypropan-2-yl]oxyimidazo[1,2-a]pyridine-6-sulfinate?
The canonical SMILES for 7-[(2S)-1-phenylmethoxypropan-2-yl]oxyimidazo[1,2-a]pyridine-6-sulfinate is C[C@@H](COCc1ccccc1)Oc1cc2nccn2cc1S(=O)[O-].
What is the InChIKey of 7-[(2S)-1-phenylmethoxypropan-2-yl]oxyimidazo[1,2-a]pyridine-6-sulfinate?
The InChIKey is NNIOXSSWUAXFDM-ZDUSSCGKSA-M. The full InChI is InChI=1S/C17H18N2O4S/c1-13(11-22-12-14-5-3-2-4-6-14)23-15-9-17-18-7-8-19(17)10-16(15)24(20)21/h2-10,13H,11-12H2,1H3,(H,20,21)/p-1/t13-/m0/s1.
What are the key properties of 7-[(2S)-1-phenylmethoxypropan-2-yl]oxyimidazo[1,2-a]pyridine-6-sulfinate?
7-[(2S)-1-phenylmethoxypropan-2-yl]oxyimidazo[1,2-a]pyridine-6-sulfinate has a molecular weight of 345.40 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-1-phenylmethoxypropan-2-yl]oxyimidazo[1,2-a]pyridine-6-sulfinate is sourced from PubChem (CID 172632025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).