(3S,4S)-4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)oxolan-3-amine

C15H16FNOS — CID 92571349

IUPAC(3S,4S)-4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)oxolan-3-amine
SMILESFc1ccc([C@@H]2COC[C@H]2NCc2cccs2)cc1
InChIInChI=1S/C15H16FNOS/c16-12-5-3-11(4-6-12)14-9-18-10-15(14)17-8-13-2-1-7-19-13/h1-7,14-15,17H,8-10H2/t14-,15+/m0/s1
InChIKeyRUTAWRJGMADKPS-LSDHHAIUSA-N
MW277.36 g/mol
LogP3.16
Rot. Bonds4

About (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)oxolan-3-amine

(3S,4S)-4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)oxolan-3-amine (PubChem CID 92571349) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)oxolan-3-amine
PubChem CID92571349
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name(3S,4S)-4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)oxolan-3-amine
SMILESFc1ccc([C@@H]2COC[C@H]2NCc2cccs2)cc1
InChIInChI=1S/C15H16FNOS/c16-12-5-3-11(4-6-12)14-9-18-10-15(14)17-8-13-2-1-7-19-13/h1-7,14-15,17H,8-10H2/t14-,15+/m0/s1
InChIKeyRUTAWRJGMADKPS-LSDHHAIUSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)oxolan-3-amine?
The IUPAC name of (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)oxolan-3-amine (CID 92571349) is (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)oxolan-3-amine.
What is the SMILES notation for (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)oxolan-3-amine?
The canonical SMILES for (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)oxolan-3-amine is Fc1ccc([C@@H]2COC[C@H]2NCc2cccs2)cc1.
What is the InChIKey of (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)oxolan-3-amine?
The InChIKey is RUTAWRJGMADKPS-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H16FNOS/c16-12-5-3-11(4-6-12)14-9-18-10-15(14)17-8-13-2-1-7-19-13/h1-7,14-15,17H,8-10H2/t14-,15+/m0/s1.
What are the key properties of (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)oxolan-3-amine?
(3S,4S)-4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)oxolan-3-amine has a molecular weight of 277.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 92571349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).