7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole

C15H26N4O4S — CID 118739203

IUPAC7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
SMILESCN(C)S(=O)(=O)NCC1OCCc2cn(CC3CCOCC3)nc21
InChIInChI=1S/C15H26N4O4S/c1-18(2)24(20,21)16-9-14-15-13(5-8-23-14)11-19(17-15)10-12-3-6-22-7-4-12/h11-12,14,16H,3-10H2,1-2H3
InChIKeyYMSBHYUTPKYWMS-UHFFFAOYSA-N
MW358.46 g/mol
LogP0.32
Rot. Bonds6

About 7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole

7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole (PubChem CID 118739203) has the molecular formula C15H26N4O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is 7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole.

Molecular Properties

Compound Name7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
PubChem CID118739203
Molecular FormulaC15H26N4O4S
Molecular Weight358.46 g/mol
Exact Mass358.17
IUPAC Name7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
SMILESCN(C)S(=O)(=O)NCC1OCCc2cn(CC3CCOCC3)nc21
InChIInChI=1S/C15H26N4O4S/c1-18(2)24(20,21)16-9-14-15-13(5-8-23-14)11-19(17-15)10-12-3-6-22-7-4-12/h11-12,14,16H,3-10H2,1-2H3
InChIKeyYMSBHYUTPKYWMS-UHFFFAOYSA-N
XLogP0.32
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole 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
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 7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole?
The IUPAC name of 7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole (CID 118739203) is 7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole.
What is the SMILES notation for 7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole?
The canonical SMILES for 7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole is CN(C)S(=O)(=O)NCC1OCCc2cn(CC3CCOCC3)nc21.
What is the InChIKey of 7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole?
The InChIKey is YMSBHYUTPKYWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4S/c1-18(2)24(20,21)16-9-14-15-13(5-8-23-14)11-19(17-15)10-12-3-6-22-7-4-12/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of 7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole?
7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole has a molecular weight of 358.46 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(dimethylsulfamoylamino)methyl]-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole is sourced from PubChem (CID 118739203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).