S-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine

C11H15FN2OS — CID 165409875

IUPACS-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine
SMILESCC1(C)CC(NSN)c2ccc(F)cc2O1
InChIInChI=1S/C11H15FN2OS/c1-11(2)6-9(14-16-13)8-4-3-7(12)5-10(8)15-11/h3-5,9,14H,6,13H2,1-2H3
InChIKeyCJXYYYWFZCECJK-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.54
Rot. Bonds2

About S-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine

S-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine (PubChem CID 165409875) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is S-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine.

Molecular Properties

Compound NameS-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine
PubChem CID165409875
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC NameS-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine
SMILESCC1(C)CC(NSN)c2ccc(F)cc2O1
InChIInChI=1S/C11H15FN2OS/c1-11(2)6-9(14-16-13)8-4-3-7(12)5-10(8)15-11/h3-5,9,14H,6,13H2,1-2H3
InChIKeyCJXYYYWFZCECJK-UHFFFAOYSA-N
XLogP2.54
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene
CID 165409830
4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 165409857
2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide
CID 119165389
ethane;4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 165409856
4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 119165291
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 138053146
7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine
CID 114713714
6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81481079
3-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122007018
(1R)-1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]ethanesulfonamide
CID 165409946
N-(4-fluoro-2-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81139709
7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 79982958

Frequently Asked Questions

What is the IUPAC name of S-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine?
The IUPAC name of S-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine (CID 165409875) is S-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine.
What is the SMILES notation for S-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine?
The canonical SMILES for S-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine is CC1(C)CC(NSN)c2ccc(F)cc2O1.
What is the InChIKey of S-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine?
The InChIKey is CJXYYYWFZCECJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2OS/c1-11(2)6-9(14-16-13)8-4-3-7(12)5-10(8)15-11/h3-5,9,14H,6,13H2,1-2H3.
What are the key properties of S-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine?
S-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine has a molecular weight of 242.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine is sourced from PubChem (CID 165409875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).