6-(diethoxymethyl)-1-methylsulfonylpyrrolo[3,2-c]pyridine

C13H18N2O4S — CID 174702855

IUPAC6-(diethoxymethyl)-1-methylsulfonylpyrrolo[3,2-c]pyridine
SMILESCCOC(OCC)c1cc2c(ccn2S(C)(=O)=O)cn1
InChIInChI=1S/C13H18N2O4S/c1-4-18-13(19-5-2)11-8-12-10(9-14-11)6-7-15(12)20(3,16)17/h6-9,13H,4-5H2,1-3H3
InChIKeyDDWYZLHWUYUUOL-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.92
Rot. Bonds6

About 6-(diethoxymethyl)-1-methylsulfonylpyrrolo[3,2-c]pyridine

6-(diethoxymethyl)-1-methylsulfonylpyrrolo[3,2-c]pyridine (PubChem CID 174702855) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 6-(diethoxymethyl)-1-methylsulfonylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-(diethoxymethyl)-1-methylsulfonylpyrrolo[3,2-c]pyridine
PubChem CID174702855
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name6-(diethoxymethyl)-1-methylsulfonylpyrrolo[3,2-c]pyridine
SMILESCCOC(OCC)c1cc2c(ccn2S(C)(=O)=O)cn1
InChIInChI=1S/C13H18N2O4S/c1-4-18-13(19-5-2)11-8-12-10(9-14-11)6-7-15(12)20(3,16)17/h6-9,13H,4-5H2,1-3H3
InChIKeyDDWYZLHWUYUUOL-UHFFFAOYSA-N
XLogP1.92
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-bromo-1-methylsulfonylpyrrolo[3,2-b]pyridine
CID 118249224
4-chloro-6-methoxy-1-methylsulfonylindole
CID 173185624
1-(3,5-dichlorophenyl)-4-(diethoxymethyl)triazole
CID 66213811
2-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanesulfonamide
CID 145191460
1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine
CID 150655261
1-(2-tert-butylsulfonylethyl)-5-ethoxyindole
CID 106731679
1-(3-methylsulfonylpropyl)-5-propoxyindole
CID 116625606
5-bromo-1-methylsulfonylindazole
CID 167427897
2-(diethoxymethyl)-1-ethylimidazo[4,5-b]pyridine
CID 69231175
(4-bromo-1-methylsulfonylindol-6-yl)methanol
CID 139561490
5-ethoxy-1-(3-ethylsulfonylpropyl)indole
CID 116623921
4-(5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-yl)butan-2-one
CID 58010246

Frequently Asked Questions

What is the IUPAC name of 6-(diethoxymethyl)-1-methylsulfonylpyrrolo[3,2-c]pyridine?
The IUPAC name of 6-(diethoxymethyl)-1-methylsulfonylpyrrolo[3,2-c]pyridine (CID 174702855) is 6-(diethoxymethyl)-1-methylsulfonylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-(diethoxymethyl)-1-methylsulfonylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-(diethoxymethyl)-1-methylsulfonylpyrrolo[3,2-c]pyridine is CCOC(OCC)c1cc2c(ccn2S(C)(=O)=O)cn1.
What is the InChIKey of 6-(diethoxymethyl)-1-methylsulfonylpyrrolo[3,2-c]pyridine?
The InChIKey is DDWYZLHWUYUUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-4-18-13(19-5-2)11-8-12-10(9-14-11)6-7-15(12)20(3,16)17/h6-9,13H,4-5H2,1-3H3.
What are the key properties of 6-(diethoxymethyl)-1-methylsulfonylpyrrolo[3,2-c]pyridine?
6-(diethoxymethyl)-1-methylsulfonylpyrrolo[3,2-c]pyridine has a molecular weight of 298.36 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethoxymethyl)-1-methylsulfonylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 174702855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).