3-[(2R)-2-tert-butylmorpholin-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C14H23N3O4S — CID 171359397

IUPAC3-[(2R)-2-tert-butylmorpholin-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)(C)[C@@H]1CN(S(=O)(=O)c2cnn3c2OCCC3)CCO1
InChIInChI=1S/C14H23N3O4S/c1-14(2,3)12-10-16(6-8-20-12)22(18,19)11-9-15-17-5-4-7-21-13(11)17/h9,12H,4-8,10H2,1-3H3/t12-/m0/s1
InChIKeyQRXGRGARIQDADX-LBPRGKRZSA-N
MW329.42 g/mol
LogP1.10
Rot. Bonds2

About 3-[(2R)-2-tert-butylmorpholin-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

3-[(2R)-2-tert-butylmorpholin-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 171359397) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-[(2R)-2-tert-butylmorpholin-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-[(2R)-2-tert-butylmorpholin-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID171359397
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name3-[(2R)-2-tert-butylmorpholin-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)(C)[C@@H]1CN(S(=O)(=O)c2cnn3c2OCCC3)CCO1
InChIInChI=1S/C14H23N3O4S/c1-14(2,3)12-10-16(6-8-20-12)22(18,19)11-9-15-17-5-4-7-21-13(11)17/h9,12H,4-8,10H2,1-3H3/t12-/m0/s1
InChIKeyQRXGRGARIQDADX-LBPRGKRZSA-N
XLogP1.10
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-tert-butylmorpholin-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 3-[(2R)-2-tert-butylmorpholin-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 171359397) is 3-[(2R)-2-tert-butylmorpholin-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 3-[(2R)-2-tert-butylmorpholin-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 3-[(2R)-2-tert-butylmorpholin-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is CC(C)(C)[C@@H]1CN(S(=O)(=O)c2cnn3c2OCCC3)CCO1.
What is the InChIKey of 3-[(2R)-2-tert-butylmorpholin-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is QRXGRGARIQDADX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-14(2,3)12-10-16(6-8-20-12)22(18,19)11-9-15-17-5-4-7-21-13(11)17/h9,12H,4-8,10H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-[(2R)-2-tert-butylmorpholin-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
3-[(2R)-2-tert-butylmorpholin-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 329.42 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-tert-butylmorpholin-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 171359397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).