N-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine

C13H16FNS — CID 66073273

IUPACN-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine
SMILESC#CCC(CSc1ccc(F)cc1)NCC
InChIInChI=1S/C13H16FNS/c1-3-5-12(15-4-2)10-16-13-8-6-11(14)7-9-13/h1,6-9,12,15H,4-5,10H2,2H3
InChIKeyCHXCQSJAVSRZHY-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.92
Rot. Bonds6

About N-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine

N-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine (PubChem CID 66073273) has the molecular formula C13H16FNS and a molecular weight of 237.34 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine
PubChem CID66073273
Molecular FormulaC13H16FNS
Molecular Weight237.34 g/mol
Exact Mass237.10
IUPAC NameN-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine
SMILESC#CCC(CSc1ccc(F)cc1)NCC
InChIInChI=1S/C13H16FNS/c1-3-5-12(15-4-2)10-16-13-8-6-11(14)7-9-13/h1,6-9,12,15H,4-5,10H2,2H3
InChIKeyCHXCQSJAVSRZHY-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine
CID 66088364
N-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine
CID 66070783
1-(4-chlorophenyl)sulfanyl-N-propylpent-4-yn-2-amine
CID 66144775
N-ethyl-1-phenylsulfanylhex-5-yn-2-amine
CID 65143383
1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 66066895
N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 106849127
N-ethyl-1-(4-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049659
1-(4-chlorophenyl)sulfanyl-N-ethylhept-6-yn-2-amine
CID 113374341
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 66070995
N-ethyl-2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine
CID 66073061
1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine
CID 66066503
N-ethyl-1-(2-methylpropylsulfanyl)pent-4-yn-2-amine
CID 65135532

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine (CID 66073273) is N-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine is C#CCC(CSc1ccc(F)cc1)NCC.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine?
The InChIKey is CHXCQSJAVSRZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNS/c1-3-5-12(15-4-2)10-16-13-8-6-11(14)7-9-13/h1,6-9,12,15H,4-5,10H2,2H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine?
N-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine is sourced from PubChem (CID 66073273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).