N-(4-fluorophenyl)sulfanylpentan-1-amine

C11H16FNS — CID 143284623

IUPACN-(4-fluorophenyl)sulfanylpentan-1-amine
SMILESCCCCCNSc1ccc(F)cc1
InChIInChI=1S/C11H16FNS/c1-2-3-4-9-13-14-11-7-5-10(12)6-8-11/h5-8,13H,2-4,9H2,1H3
InChIKeyUCDANCMPAWMSRA-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.61
Rot. Bonds6

About N-(4-fluorophenyl)sulfanylpentan-1-amine

N-(4-fluorophenyl)sulfanylpentan-1-amine (PubChem CID 143284623) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)sulfanylpentan-1-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)sulfanylpentan-1-amine
PubChem CID143284623
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC NameN-(4-fluorophenyl)sulfanylpentan-1-amine
SMILESCCCCCNSc1ccc(F)cc1
InChIInChI=1S/C11H16FNS/c1-2-3-4-9-13-14-11-7-5-10(12)6-8-11/h5-8,13H,2-4,9H2,1H3
InChIKeyUCDANCMPAWMSRA-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)sulfanylpentan-1-amine?
The IUPAC name of N-(4-fluorophenyl)sulfanylpentan-1-amine (CID 143284623) is N-(4-fluorophenyl)sulfanylpentan-1-amine.
What is the SMILES notation for N-(4-fluorophenyl)sulfanylpentan-1-amine?
The canonical SMILES for N-(4-fluorophenyl)sulfanylpentan-1-amine is CCCCCNSc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)sulfanylpentan-1-amine?
The InChIKey is UCDANCMPAWMSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-2-3-4-9-13-14-11-7-5-10(12)6-8-11/h5-8,13H,2-4,9H2,1H3.
What are the key properties of N-(4-fluorophenyl)sulfanylpentan-1-amine?
N-(4-fluorophenyl)sulfanylpentan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)sulfanylpentan-1-amine is sourced from PubChem (CID 143284623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).