(2S)-2-amino-5-[(2-fluorophenyl)methylsulfanyl]pentan-1-ol

C12H18FNOS — CID 57017610

IUPAC(2S)-2-amino-5-[(2-fluorophenyl)methylsulfanyl]pentan-1-ol
SMILESN[C@H](CO)CCCSCc1ccccc1F
InChIInChI=1S/C12H18FNOS/c13-12-6-2-1-4-10(12)9-16-7-3-5-11(14)8-15/h1-2,4,6,11,15H,3,5,7-9,14H2/t11-/m0/s1
InChIKeySXRVZQXALSHFQF-NSHDSACASA-N
MW243.35 g/mol
LogP2.16
Rot. Bonds7

About (2S)-2-amino-5-[(2-fluorophenyl)methylsulfanyl]pentan-1-ol

(2S)-2-amino-5-[(2-fluorophenyl)methylsulfanyl]pentan-1-ol (PubChem CID 57017610) has the molecular formula C12H18FNOS and a molecular weight of 243.35 g/mol. Its IUPAC name is (2S)-2-amino-5-[(2-fluorophenyl)methylsulfanyl]pentan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-5-[(2-fluorophenyl)methylsulfanyl]pentan-1-ol
PubChem CID57017610
Molecular FormulaC12H18FNOS
Molecular Weight243.35 g/mol
Exact Mass243.11
IUPAC Name(2S)-2-amino-5-[(2-fluorophenyl)methylsulfanyl]pentan-1-ol
SMILESN[C@H](CO)CCCSCc1ccccc1F
InChIInChI=1S/C12H18FNOS/c13-12-6-2-1-4-10(12)9-16-7-3-5-11(14)8-15/h1-2,4,6,11,15H,3,5,7-9,14H2/t11-/m0/s1
InChIKeySXRVZQXALSHFQF-NSHDSACASA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[(2-fluorophenyl)methylsulfanyl]pentan-1-ol?
The IUPAC name of (2S)-2-amino-5-[(2-fluorophenyl)methylsulfanyl]pentan-1-ol (CID 57017610) is (2S)-2-amino-5-[(2-fluorophenyl)methylsulfanyl]pentan-1-ol.
What is the SMILES notation for (2S)-2-amino-5-[(2-fluorophenyl)methylsulfanyl]pentan-1-ol?
The canonical SMILES for (2S)-2-amino-5-[(2-fluorophenyl)methylsulfanyl]pentan-1-ol is N[C@H](CO)CCCSCc1ccccc1F.
What is the InChIKey of (2S)-2-amino-5-[(2-fluorophenyl)methylsulfanyl]pentan-1-ol?
The InChIKey is SXRVZQXALSHFQF-NSHDSACASA-N. The full InChI is InChI=1S/C12H18FNOS/c13-12-6-2-1-4-10(12)9-16-7-3-5-11(14)8-15/h1-2,4,6,11,15H,3,5,7-9,14H2/t11-/m0/s1.
What are the key properties of (2S)-2-amino-5-[(2-fluorophenyl)methylsulfanyl]pentan-1-ol?
(2S)-2-amino-5-[(2-fluorophenyl)methylsulfanyl]pentan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[(2-fluorophenyl)methylsulfanyl]pentan-1-ol is sourced from PubChem (CID 57017610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).