6-[(dimethylamino)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide

C9H16N4O3S — CID 135241067

IUPAC6-[(dimethylamino)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESCN(C)CC1COc2c(S(N)(=O)=O)cnn2C1
InChIInChI=1S/C9H16N4O3S/c1-12(2)4-7-5-13-9(16-6-7)8(3-11-13)17(10,14)15/h3,7H,4-6H2,1-2H3,(H2,10,14,15)
InChIKeyCJOKWVWPNHUMHZ-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.90
Rot. Bonds3

About 6-[(dimethylamino)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide

6-[(dimethylamino)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (PubChem CID 135241067) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
PubChem CID135241067
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name6-[(dimethylamino)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESCN(C)CC1COc2c(S(N)(=O)=O)cnn2C1
InChIInChI=1S/C9H16N4O3S/c1-12(2)4-7-5-13-9(16-6-7)8(3-11-13)17(10,14)15/h3,7H,4-6H2,1-2H3,(H2,10,14,15)
InChIKeyCJOKWVWPNHUMHZ-UHFFFAOYSA-N
XLogP-0.90
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The IUPAC name of 6-[(dimethylamino)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (CID 135241067) is 6-[(dimethylamino)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.
What is the SMILES notation for 6-[(dimethylamino)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The canonical SMILES for 6-[(dimethylamino)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is CN(C)CC1COc2c(S(N)(=O)=O)cnn2C1.
What is the InChIKey of 6-[(dimethylamino)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The InChIKey is CJOKWVWPNHUMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-12(2)4-7-5-13-9(16-6-7)8(3-11-13)17(10,14)15/h3,7H,4-6H2,1-2H3,(H2,10,14,15).
What are the key properties of 6-[(dimethylamino)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
6-[(dimethylamino)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide has a molecular weight of 260.32 g/mol, XLogP of -0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is sourced from PubChem (CID 135241067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).