N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide

C16H25N3O4S — CID 118743143

IUPACN-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1OCCc2cn(CC3CCOCC3)nc21)C1CC1
InChIInChI=1S/C16H25N3O4S/c20-24(21,14-1-2-14)17-9-15-16-13(5-8-23-15)11-19(18-16)10-12-3-6-22-7-4-12/h11-12,14-15,17H,1-10H2
InChIKeyXYRAESHDBFINNP-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.01
Rot. Bonds6

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

N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide (PubChem CID 118743143) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide
PubChem CID118743143
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1OCCc2cn(CC3CCOCC3)nc21)C1CC1
InChIInChI=1S/C16H25N3O4S/c20-24(21,14-1-2-14)17-9-15-16-13(5-8-23-15)11-19(18-16)10-12-3-6-22-7-4-12/h11-12,14-15,17H,1-10H2
InChIKeyXYRAESHDBFINNP-UHFFFAOYSA-N
XLogP1.01
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]ethanesulfonamide
CID 118739197
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-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-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide (CID 118743143) is N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide is O=S(=O)(NCC1OCCc2cn(CC3CCOCC3)nc21)C1CC1.
What is the InChIKey of N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide?
The InChIKey is XYRAESHDBFINNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c20-24(21,14-1-2-14)17-9-15-16-13(5-8-23-15)11-19(18-16)10-12-3-6-22-7-4-12/h11-12,14-15,17H,1-10H2.
What are the key properties of N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide?
N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 118743143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).