N-methoxyformamide;2-methylpyrrolidine;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate

C13H26N4O7S — CID 144836927

IUPACN-methoxyformamide;2-methylpyrrolidine;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
SMILESCC1CCCN1.CONC=O.O=C1N2CCC[C@H](C2)N1OS(=O)(=O)O
InChIInChI=1S/C6H10N2O5S.C5H11N.C2H5NO2/c9-6-7-3-1-2-5(4-7)8(6)13-14(10,11)12;1-5-3-2-4-6-5;1-5-3-2-4/h5H,1-4H2,(H,10,11,12);5-6H,2-4H2,1H3;2H,1H3,(H,3,4)/t5-;;/m1../s1
InChIKeyHFWXSEBXVPYRHW-ZJIMSODOSA-N
MW382.44 g/mol
LogP-0.33
Rot. Bonds4

About N-methoxyformamide;2-methylpyrrolidine;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate

N-methoxyformamide;2-methylpyrrolidine;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate (PubChem CID 144836927) has the molecular formula C13H26N4O7S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-methoxyformamide;2-methylpyrrolidine;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate.

Molecular Properties

Compound NameN-methoxyformamide;2-methylpyrrolidine;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
PubChem CID144836927
Molecular FormulaC13H26N4O7S
Molecular Weight382.44 g/mol
Exact Mass382.15
IUPAC NameN-methoxyformamide;2-methylpyrrolidine;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
SMILESCC1CCCN1.CONC=O.O=C1N2CCC[C@H](C2)N1OS(=O)(=O)O
InChIInChI=1S/C6H10N2O5S.C5H11N.C2H5NO2/c9-6-7-3-1-2-5(4-7)8(6)13-14(10,11)12;1-5-3-2-4-6-5;1-5-3-2-4/h5H,1-4H2,(H,10,11,12);5-6H,2-4H2,1H3;2H,1H3,(H,3,4)/t5-;;/m1../s1
InChIKeyHFWXSEBXVPYRHW-ZJIMSODOSA-N
XLogP-0.33
TPSA137.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze N-methoxyformamide;2-methylpyrrolidine;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate with MolForge

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Launch Full Analysis

Related Compounds

butylamino [(2R,5S)-2-isocyano-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate
CID 123628631
[(2S,5R)-2-formamido-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 126557514
[2-[[(1-Ethylpiperidin-4-yl)amino]methyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 134561170
N-methoxyformamide;pyrrolidine;6-sulfanyloxysulfanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 142418302
N-(1-aminopropan-2-yl)-N-propylformamide;ethane;(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate
CID 143835638
N-methyl-N-(pyrrolidin-2-ylmethoxy)nitrous amide;(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate
CID 144582171
(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate;N-piperidin-4-ylformamide
CID 144802707
N-(2-aminopropoxy)formamide;(7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate
CID 144827230
N-(3-aminopropoxy)formamide;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 144827231
ethane;N-hydroxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine
CID 144827234
N-[2-(dimethylamino)ethoxy]formamide;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 144827235
ethane;N-methoxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine
CID 144827237

Frequently Asked Questions

What is the IUPAC name of N-methoxyformamide;2-methylpyrrolidine;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate?
The IUPAC name of N-methoxyformamide;2-methylpyrrolidine;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate (CID 144836927) is N-methoxyformamide;2-methylpyrrolidine;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate.
What is the SMILES notation for N-methoxyformamide;2-methylpyrrolidine;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate?
The canonical SMILES for N-methoxyformamide;2-methylpyrrolidine;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate is CC1CCCN1.CONC=O.O=C1N2CCC[C@H](C2)N1OS(=O)(=O)O.
What is the InChIKey of N-methoxyformamide;2-methylpyrrolidine;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate?
The InChIKey is HFWXSEBXVPYRHW-ZJIMSODOSA-N. The full InChI is InChI=1S/C6H10N2O5S.C5H11N.C2H5NO2/c9-6-7-3-1-2-5(4-7)8(6)13-14(10,11)12;1-5-3-2-4-6-5;1-5-3-2-4/h5H,1-4H2,(H,10,11,12);5-6H,2-4H2,1H3;2H,1H3,(H,3,4)/t5-;;/m1../s1.
What are the key properties of N-methoxyformamide;2-methylpyrrolidine;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate?
N-methoxyformamide;2-methylpyrrolidine;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate has a molecular weight of 382.44 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxyformamide;2-methylpyrrolidine;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate is sourced from PubChem (CID 144836927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).