1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea

C11H19N5O4S — CID 146312299

IUPAC1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NS(=O)(=O)c1cnn2c1OCC(CN)C2
InChIInChI=1S/C11H19N5O4S/c1-7(2)14-11(17)15-21(18,19)9-4-13-16-5-8(3-12)6-20-10(9)16/h4,7-8H,3,5-6,12H2,1-2H3,(H2,14,15,17)
InChIKeyXEFFILVRHIVAKO-UHFFFAOYSA-N
MW317.37 g/mol
LogP-0.75
Rot. Bonds4

About 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea

1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea (PubChem CID 146312299) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea
PubChem CID146312299
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC Name1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NS(=O)(=O)c1cnn2c1OCC(CN)C2
InChIInChI=1S/C11H19N5O4S/c1-7(2)14-11(17)15-21(18,19)9-4-13-16-5-8(3-12)6-20-10(9)16/h4,7-8H,3,5-6,12H2,1-2H3,(H2,14,15,17)
InChIKeyXEFFILVRHIVAKO-UHFFFAOYSA-N
XLogP-0.75
TPSA128.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea (CID 146312299) is 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea is CC(C)NC(=O)NS(=O)(=O)c1cnn2c1OCC(CN)C2.
What is the InChIKey of 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea?
The InChIKey is XEFFILVRHIVAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-7(2)14-11(17)15-21(18,19)9-4-13-16-5-8(3-12)6-20-10(9)16/h4,7-8H,3,5-6,12H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea?
1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea has a molecular weight of 317.37 g/mol, XLogP of -0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-propan-2-ylurea is sourced from PubChem (CID 146312299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).