N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide

C12H21N3O4S — CID 118739197

IUPACN-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1OCCc2cn(CCOC)nc21
InChIInChI=1S/C12H21N3O4S/c1-3-20(16,17)13-8-11-12-10(4-6-19-11)9-15(14-12)5-7-18-2/h9,11,13H,3-8H2,1-2H3
InChIKeyVMCJJWAMFGBKCL-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.08
Rot. Bonds7

About N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide

N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide (PubChem CID 118739197) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide
PubChem CID118739197
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC NameN-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1OCCc2cn(CCOC)nc21
InChIInChI=1S/C12H21N3O4S/c1-3-20(16,17)13-8-11-12-10(4-6-19-11)9-15(14-12)5-7-18-2/h9,11,13H,3-8H2,1-2H3
InChIKeyVMCJJWAMFGBKCL-UHFFFAOYSA-N
XLogP0.08
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide with MolForge

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Related Compounds

N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]propane-1-sulfonamide
CID 118739198
N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide
CID 118739199
N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanesulfonamide
CID 118739202
7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 118739203
N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanesulfonamide
CID 118739300
N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-methylsulfonylacetamide
CID 118739627
N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxan-4-amine
CID 118742962
N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]oxan-4-amine
CID 118742969
N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxan-4-amine
CID 118742971
N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]propan-2-amine
CID 118742979
N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide
CID 118743143
N-[(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1-(oxan-4-yl)methanamine
CID 118745792

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide (CID 118739197) is N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1OCCc2cn(CCOC)nc21.
What is the InChIKey of N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide?
The InChIKey is VMCJJWAMFGBKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-3-20(16,17)13-8-11-12-10(4-6-19-11)9-15(14-12)5-7-18-2/h9,11,13H,3-8H2,1-2H3.
What are the key properties of N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide?
N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 118739197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).