3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride

C16H25ClN4O4S — CID 120877205

IUPAC3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
SMILESCCc1noc2ncc(S(=O)(=O)NCC3(COC)CCNCC3)cc12.Cl
InChIInChI=1S/C16H24N4O4S.ClH/c1-3-14-13-8-12(9-18-15(13)24-20-14)25(21,22)19-10-16(11-23-2)4-6-17-7-5-16;/h8-9,17,19H,3-7,10-11H2,1-2H3;1H
InChIKeySRZBKMXWAITLAY-UHFFFAOYSA-N
MW404.92 g/mol
LogP1.50
Rot. Bonds7

About 3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride

3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride (PubChem CID 120877205) has the molecular formula C16H25ClN4O4S and a molecular weight of 404.92 g/mol. Its IUPAC name is 3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
PubChem CID120877205
Molecular FormulaC16H25ClN4O4S
Molecular Weight404.92 g/mol
Exact Mass404.13
IUPAC Name3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
SMILESCCc1noc2ncc(S(=O)(=O)NCC3(COC)CCNCC3)cc12.Cl
InChIInChI=1S/C16H24N4O4S.ClH/c1-3-14-13-8-12(9-18-15(13)24-20-14)25(21,22)19-10-16(11-23-2)4-6-17-7-5-16;/h8-9,17,19H,3-7,10-11H2,1-2H3;1H
InChIKeySRZBKMXWAITLAY-UHFFFAOYSA-N
XLogP1.50
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride with MolForge

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
CID 120896388
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
CID 120896389
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 120896574
N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 120874415
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120876503
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120896778
3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896550
4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896478
3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896903
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
CID 120896472

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The IUPAC name of 3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride (CID 120877205) is 3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride.
What is the SMILES notation for 3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The canonical SMILES for 3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride is CCc1noc2ncc(S(=O)(=O)NCC3(COC)CCNCC3)cc12.Cl.
What is the InChIKey of 3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The InChIKey is SRZBKMXWAITLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S.ClH/c1-3-14-13-8-12(9-18-15(13)24-20-14)25(21,22)19-10-16(11-23-2)4-6-17-7-5-16;/h8-9,17,19H,3-7,10-11H2,1-2H3;1H.
What are the key properties of 3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride has a molecular weight of 404.92 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120877205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).