O-[3-(4-fluorophenyl)sulfanylpropyl]hydroxylamine

C9H12FNOS — CID 11830470

IUPACO-[3-(4-fluorophenyl)sulfanylpropyl]hydroxylamine
SMILESNOCCCSc1ccc(F)cc1
InChIInChI=1S/C9H12FNOS/c10-8-2-4-9(5-3-8)13-7-1-6-12-11/h2-5H,1,6-7,11H2
InChIKeyCPCUUYUAFZHIKC-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.20
Rot. Bonds5

About O-[3-(4-fluorophenyl)sulfanylpropyl]hydroxylamine

O-[3-(4-fluorophenyl)sulfanylpropyl]hydroxylamine (PubChem CID 11830470) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is O-[3-(4-fluorophenyl)sulfanylpropyl]hydroxylamine.

Molecular Properties

Compound NameO-[3-(4-fluorophenyl)sulfanylpropyl]hydroxylamine
PubChem CID11830470
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC NameO-[3-(4-fluorophenyl)sulfanylpropyl]hydroxylamine
SMILESNOCCCSc1ccc(F)cc1
InChIInChI=1S/C9H12FNOS/c10-8-2-4-9(5-3-8)13-7-1-6-12-11/h2-5H,1,6-7,11H2
InChIKeyCPCUUYUAFZHIKC-UHFFFAOYSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze O-[3-(4-fluorophenyl)sulfanylpropyl]hydroxylamine 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

5-(4-fluorophenyl)sulfanylpentan-1-ol
CID 62228825
5-(4-fluorophenyl)sulfanyl-2,2-dimethylpentan-1-amine
CID 65256079
1,2,3,4,5-pentafluoro-6-[4-(4-fluorophenyl)sulfanylbutyl]benzene
CID 163297689
4-[3-(4-fluorophenyl)sulfanylpropoxy]benzoic acid
CID 63099439
4-(4-fluorophenyl)sulfanylbutanehydrazide
CID 63580028
1-amino-5-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol
CID 64814874
4-[2-(4-fluorophenyl)sulfanylethoxy]aniline
CID 43366307
2-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide;hydrochloride
CID 119268290
methyl 6-(4-fluorophenyl)sulfanylhexanoate
CID 135365967
2-fluoro-4-[2-(4-fluorophenyl)sulfanylethylsulfanyl]aniline
CID 79141658
4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline
CID 55024188
N-[3-(4-fluorophenyl)sulfanylpropyl]methanesulfonamide
CID 47013157

Frequently Asked Questions

What is the IUPAC name of O-[3-(4-fluorophenyl)sulfanylpropyl]hydroxylamine?
The IUPAC name of O-[3-(4-fluorophenyl)sulfanylpropyl]hydroxylamine (CID 11830470) is O-[3-(4-fluorophenyl)sulfanylpropyl]hydroxylamine.
What is the SMILES notation for O-[3-(4-fluorophenyl)sulfanylpropyl]hydroxylamine?
The canonical SMILES for O-[3-(4-fluorophenyl)sulfanylpropyl]hydroxylamine is NOCCCSc1ccc(F)cc1.
What is the InChIKey of O-[3-(4-fluorophenyl)sulfanylpropyl]hydroxylamine?
The InChIKey is CPCUUYUAFZHIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c10-8-2-4-9(5-3-8)13-7-1-6-12-11/h2-5H,1,6-7,11H2.
What are the key properties of O-[3-(4-fluorophenyl)sulfanylpropyl]hydroxylamine?
O-[3-(4-fluorophenyl)sulfanylpropyl]hydroxylamine has a molecular weight of 201.27 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-(4-fluorophenyl)sulfanylpropyl]hydroxylamine is sourced from PubChem (CID 11830470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).