6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;hydrochloride

C7H13ClN4O3S — CID 135240994

IUPAC6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;hydrochloride
SMILESCl.NCC1COc2c(S(N)(=O)=O)cnn2C1
InChIInChI=1S/C7H12N4O3S.ClH/c8-1-5-3-11-7(14-4-5)6(2-10-11)15(9,12)13;/h2,5H,1,3-4,8H2,(H2,9,12,13);1H
InChIKeyFCKVFYCEQNYVAE-UHFFFAOYSA-N
MW268.73 g/mol
LogP-1.08
Rot. Bonds2

About 6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;hydrochloride

6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;hydrochloride (PubChem CID 135240994) has the molecular formula C7H13ClN4O3S and a molecular weight of 268.73 g/mol. Its IUPAC name is 6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;hydrochloride
PubChem CID135240994
Molecular FormulaC7H13ClN4O3S
Molecular Weight268.73 g/mol
Exact Mass268.04
IUPAC Name6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;hydrochloride
SMILESCl.NCC1COc2c(S(N)(=O)=O)cnn2C1
InChIInChI=1S/C7H12N4O3S.ClH/c8-1-5-3-11-7(14-4-5)6(2-10-11)15(9,12)13;/h2,5H,1,3-4,8H2,(H2,9,12,13);1H
InChIKeyFCKVFYCEQNYVAE-UHFFFAOYSA-N
XLogP-1.08
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;hydrochloride?
The IUPAC name of 6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;hydrochloride (CID 135240994) is 6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;hydrochloride.
What is the SMILES notation for 6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;hydrochloride?
The canonical SMILES for 6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;hydrochloride is Cl.NCC1COc2c(S(N)(=O)=O)cnn2C1.
What is the InChIKey of 6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;hydrochloride?
The InChIKey is FCKVFYCEQNYVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3S.ClH/c8-1-5-3-11-7(14-4-5)6(2-10-11)15(9,12)13;/h2,5H,1,3-4,8H2,(H2,9,12,13);1H.
What are the key properties of 6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;hydrochloride?
6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;hydrochloride has a molecular weight of 268.73 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 135240994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).