6-pyrrolidin-1-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide

C10H16N4O3S — CID 135241976

IUPAC6-pyrrolidin-1-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESNS(=O)(=O)c1cnn2c1OCC(N1CCCC1)C2
InChIInChI=1S/C10H16N4O3S/c11-18(15,16)9-5-12-14-6-8(7-17-10(9)14)13-3-1-2-4-13/h5,8H,1-4,6-7H2,(H2,11,15,16)
InChIKeyYYCCEOSVRPBDAQ-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.61
Rot. Bonds2

About 6-pyrrolidin-1-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide

6-pyrrolidin-1-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (PubChem CID 135241976) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
PubChem CID135241976
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name6-pyrrolidin-1-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESNS(=O)(=O)c1cnn2c1OCC(N1CCCC1)C2
InChIInChI=1S/C10H16N4O3S/c11-18(15,16)9-5-12-14-6-8(7-17-10(9)14)13-3-1-2-4-13/h5,8H,1-4,6-7H2,(H2,11,15,16)
InChIKeyYYCCEOSVRPBDAQ-UHFFFAOYSA-N
XLogP-0.61
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The IUPAC name of 6-pyrrolidin-1-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (CID 135241976) is 6-pyrrolidin-1-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.
What is the SMILES notation for 6-pyrrolidin-1-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The canonical SMILES for 6-pyrrolidin-1-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is NS(=O)(=O)c1cnn2c1OCC(N1CCCC1)C2.
What is the InChIKey of 6-pyrrolidin-1-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The InChIKey is YYCCEOSVRPBDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c11-18(15,16)9-5-12-14-6-8(7-17-10(9)14)13-3-1-2-4-13/h5,8H,1-4,6-7H2,(H2,11,15,16).
What are the key properties of 6-pyrrolidin-1-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
6-pyrrolidin-1-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide has a molecular weight of 272.33 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is sourced from PubChem (CID 135241976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).