S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine

C7H10FN3S — CID 142359365

IUPACS-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine
SMILESCC(CSN)c1ncc(F)cn1
InChIInChI=1S/C7H10FN3S/c1-5(4-12-9)7-10-2-6(8)3-11-7/h2-3,5H,4,9H2,1H3
InChIKeyWBXDAJOQPXQQFV-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.33
Rot. Bonds3

About S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine

S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine (PubChem CID 142359365) has the molecular formula C7H10FN3S and a molecular weight of 187.24 g/mol. Its IUPAC name is S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine
PubChem CID142359365
Molecular FormulaC7H10FN3S
Molecular Weight187.24 g/mol
Exact Mass187.06
IUPAC NameS-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine
SMILESCC(CSN)c1ncc(F)cn1
InChIInChI=1S/C7H10FN3S/c1-5(4-12-9)7-10-2-6(8)3-11-7/h2-3,5H,4,9H2,1H3
InChIKeyWBXDAJOQPXQQFV-UHFFFAOYSA-N
XLogP1.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide
CID 159694547
1-(5-fluoropyrimidin-2-yl)ethanamine
CID 50994814
2-(5-fluoropyrimidin-2-yl)-2-methoxyethanamine;hydrochloride
CID 69262937
(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide;(1R,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
CID 158186309
(1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
CID 122702200
5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine
CID 126560646
(2R,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride
CID 159127052
1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine
CID 104606339
(3R,4R)-4-(5-fluoropyrimidin-2-yl)-1-methoxypentane-3-thiol
CID 155417580
1-(5-fluoropyrimidin-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 163383452
5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine
CID 130713087
ethane;3-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid
CID 142359161

Frequently Asked Questions

What is the IUPAC name of S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine?
The IUPAC name of S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine (CID 142359365) is S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine.
What is the SMILES notation for S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine?
The canonical SMILES for S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine is CC(CSN)c1ncc(F)cn1.
What is the InChIKey of S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine?
The InChIKey is WBXDAJOQPXQQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3S/c1-5(4-12-9)7-10-2-6(8)3-11-7/h2-3,5H,4,9H2,1H3.
What are the key properties of S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine?
S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine has a molecular weight of 187.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine is sourced from PubChem (CID 142359365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).