(6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride

C9H11ClF3N3O3S — CID 165369872

IUPAC(6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
SMILESCN(CC(F)(F)F)[C@@H]1COc2c(S(=O)(=O)Cl)cnn2C1
InChIInChI=1S/C9H11ClF3N3O3S/c1-15(5-9(11,12)13)6-3-16-8(19-4-6)7(2-14-16)20(10,17)18/h2,6H,3-5H2,1H3/t6-/m0/s1
InChIKeyKEADTUJNHQQKOK-LURJTMIESA-N
MW333.72 g/mol
LogP1.07
Rot. Bonds3

About (6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride

(6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride (PubChem CID 165369872) has the molecular formula C9H11ClF3N3O3S and a molecular weight of 333.72 g/mol. Its IUPAC name is (6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride.

Molecular Properties

Compound Name(6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
PubChem CID165369872
Molecular FormulaC9H11ClF3N3O3S
Molecular Weight333.72 g/mol
Exact Mass333.02
IUPAC Name(6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
SMILESCN(CC(F)(F)F)[C@@H]1COc2c(S(=O)(=O)Cl)cnn2C1
InChIInChI=1S/C9H11ClF3N3O3S/c1-15(5-9(11,12)13)6-3-16-8(19-4-6)7(2-14-16)20(10,17)18/h2,6H,3-5H2,1H3/t6-/m0/s1
InChIKeyKEADTUJNHQQKOK-LURJTMIESA-N
XLogP1.07
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.72
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-3-sulfonyl chloride
CID 84687958
5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-3-sulfonamide
CID 119031861
6,6-dimethyl-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-3-sulfonyl chloride
CID 131598270
1-(Difluoromethyl)-3-ethoxy-pyrazole-4-sulfonyl chloride
CID 118164794
3-Ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride
CID 123761594
6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 135241139
6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 138579578
2,2,2-trifluoro-N-methyl-N-[(6S)-3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]acetamide
CID 146303257
6,6-Difluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
CID 163198525
(6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 165369932
(6S)-3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine
CID 165370107
(6S)-N-[tert-butyl(dimethyl)silyl]-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 165370338

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride?
The IUPAC name of (6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride (CID 165369872) is (6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride.
What is the SMILES notation for (6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride?
The canonical SMILES for (6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride is CN(CC(F)(F)F)[C@@H]1COc2c(S(=O)(=O)Cl)cnn2C1.
What is the InChIKey of (6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride?
The InChIKey is KEADTUJNHQQKOK-LURJTMIESA-N. The full InChI is InChI=1S/C9H11ClF3N3O3S/c1-15(5-9(11,12)13)6-3-16-8(19-4-6)7(2-14-16)20(10,17)18/h2,6H,3-5H2,1H3/t6-/m0/s1.
What are the key properties of (6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride?
(6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride has a molecular weight of 333.72 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride is sourced from PubChem (CID 165369872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).