N-aminosulfanyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]hydroxylamine

C9H14FN5OS — CID 134534793

IUPACN-aminosulfanyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]hydroxylamine
SMILESNSN(O)C1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C9H14FN5OS/c10-7-4-12-9(13-5-7)14-3-1-2-8(6-14)15(16)17-11/h4-5,8,16H,1-3,6,11H2
InChIKeyWOOGTXQCZWFEHR-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.80
Rot. Bonds3

About N-aminosulfanyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]hydroxylamine

N-aminosulfanyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]hydroxylamine (PubChem CID 134534793) has the molecular formula C9H14FN5OS and a molecular weight of 259.31 g/mol. Its IUPAC name is N-aminosulfanyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]hydroxylamine.

Molecular Properties

Compound NameN-aminosulfanyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]hydroxylamine
PubChem CID134534793
Molecular FormulaC9H14FN5OS
Molecular Weight259.31 g/mol
Exact Mass259.09
IUPAC NameN-aminosulfanyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]hydroxylamine
SMILESNSN(O)C1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C9H14FN5OS/c10-7-4-12-9(13-5-7)14-3-1-2-8(6-14)15(16)17-11/h4-5,8,16H,1-3,6,11H2
InChIKeyWOOGTXQCZWFEHR-UHFFFAOYSA-N
XLogP0.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

S-[(3S)-1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]thiohydroxylamine
CID 134532144
1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone
CID 104606096
[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
CID 154736534
5-fluoro-2-(3-methoxypiperidin-1-yl)pyrimidine
CID 134532206
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
N-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 154582481
4-chloro-1-(5-fluoropyrimidin-2-yl)azepane
CID 130671020
1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine
CID 104843511
3-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]propanoic acid
CID 104605891
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900263
2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine
CID 104606673
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357522

Frequently Asked Questions

What is the IUPAC name of N-aminosulfanyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]hydroxylamine?
The IUPAC name of N-aminosulfanyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]hydroxylamine (CID 134534793) is N-aminosulfanyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]hydroxylamine.
What is the SMILES notation for N-aminosulfanyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]hydroxylamine?
The canonical SMILES for N-aminosulfanyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]hydroxylamine is NSN(O)C1CCCN(c2ncc(F)cn2)C1.
What is the InChIKey of N-aminosulfanyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]hydroxylamine?
The InChIKey is WOOGTXQCZWFEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN5OS/c10-7-4-12-9(13-5-7)14-3-1-2-8(6-14)15(16)17-11/h4-5,8,16H,1-3,6,11H2.
What are the key properties of N-aminosulfanyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]hydroxylamine?
N-aminosulfanyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]hydroxylamine has a molecular weight of 259.31 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-aminosulfanyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]hydroxylamine is sourced from PubChem (CID 134534793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).