5-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C15H24FNOS — CID 64805326

IUPAC5-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CCCSc1ccccc1F
InChIInChI=1S/C15H24FNOS/c1-12(2)17-15(3,11-18)9-6-10-19-14-8-5-4-7-13(14)16/h4-5,7-8,12,17-18H,6,9-11H2,1-3H3
InChIKeyPVXZVYNDJPRNRC-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.45
Rot. Bonds8

About 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol

5-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64805326) has the molecular formula C15H24FNOS and a molecular weight of 285.43 g/mol. Its IUPAC name is 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64805326
Molecular FormulaC15H24FNOS
Molecular Weight285.43 g/mol
Exact Mass285.16
IUPAC Name5-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CCCSc1ccccc1F
InChIInChI=1S/C15H24FNOS/c1-12(2)17-15(3,11-18)9-6-10-19-14-8-5-4-7-13(14)16/h4-5,7-8,12,17-18H,6,9-11H2,1-3H3
InChIKeyPVXZVYNDJPRNRC-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.45
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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Related Compounds

Ethanol, 2-((1-methyl-2-(phenylthio)ethyl)amino)-
CID 22171
(3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 11817903
(2S)-2-amino-4-(2-fluorophenyl)sulfanylbutan-1-ol
CID 57118617
2-Amino-4-(4-fluorophenyl)sulfanylbutan-1-ol
CID 64807423
(S)-2-amino-4-(4-fluoro-phenylsulfanyl)-butan-1-ol
CID 67178957
(1S)-2-[bis(4-fluorophenyl)-methyl-lambda4-sulfanyl]-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155010648
(1S)-2-[(4-fluorophenyl)-dimethyl-lambda4-sulfanyl]-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155010649
2-[(4-Fluorophenyl)sulfanylmethyl]piperidin-4-ol
CID 171543420
2-Amino-4-(2-fluorophenyl)sulfanylbutan-1-ol
CID 21747862
1-(Cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 43166334
1-(2-Fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 43166335
1-[(2-Fluorophenyl)thio]-3-(propylamino)-2-propanol
CID 43166336

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64805326) is 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol is CC(C)NC(C)(CO)CCCSc1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is PVXZVYNDJPRNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNOS/c1-12(2)17-15(3,11-18)9-6-10-19-14-8-5-4-7-13(14)16/h4-5,7-8,12,17-18H,6,9-11H2,1-3H3.
What are the key properties of 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
5-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 285.43 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64805326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).