N-[2-(3-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine

C15H22FNOS — CID 66071449

IUPACN-[2-(3-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CSc1cccc(F)c1)C1CCOC1
InChIInChI=1S/C15H22FNOS/c1-2-7-17-15(12-6-8-18-10-12)11-19-14-5-3-4-13(16)9-14/h3-5,9,12,15,17H,2,6-8,10-11H2,1H3
InChIKeyTXOSPUAHLAMINO-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.32
Rot. Bonds7

About N-[2-(3-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine

N-[2-(3-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 66071449) has the molecular formula C15H22FNOS and a molecular weight of 283.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID66071449
Molecular FormulaC15H22FNOS
Molecular Weight283.41 g/mol
Exact Mass283.14
IUPAC NameN-[2-(3-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CSc1cccc(F)c1)C1CCOC1
InChIInChI=1S/C15H22FNOS/c1-2-7-17-15(12-6-8-18-10-12)11-19-14-5-3-4-13(16)9-14/h3-5,9,12,15,17H,2,6-8,10-11H2,1H3
InChIKeyTXOSPUAHLAMINO-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine (CID 66071449) is N-[2-(3-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine is CCCNC(CSc1cccc(F)c1)C1CCOC1.
What is the InChIKey of N-[2-(3-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is TXOSPUAHLAMINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNOS/c1-2-7-17-15(12-6-8-18-10-12)11-19-14-5-3-4-13(16)9-14/h3-5,9,12,15,17H,2,6-8,10-11H2,1H3.
What are the key properties of N-[2-(3-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine?
N-[2-(3-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 283.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 66071449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).