[2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol

C17H26FNOS — CID 79587185

IUPAC[2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC(C)NC1(CO)CCCC1CCSc1ccc(F)cc1
InChIInChI=1S/C17H26FNOS/c1-13(2)19-17(12-20)10-3-4-14(17)9-11-21-16-7-5-15(18)6-8-16/h5-8,13-14,19-20H,3-4,9-12H2,1-2H3
InChIKeyCPEIWPLLMHGAPY-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.84
Rot. Bonds7

About [2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol

[2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79587185) has the molecular formula C17H26FNOS and a molecular weight of 311.47 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79587185
Molecular FormulaC17H26FNOS
Molecular Weight311.47 g/mol
Exact Mass311.17
IUPAC Name[2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC(C)NC1(CO)CCCC1CCSc1ccc(F)cc1
InChIInChI=1S/C17H26FNOS/c1-13(2)19-17(12-20)10-3-4-14(17)9-11-21-16-7-5-15(18)6-8-16/h5-8,13-14,19-20H,3-4,9-12H2,1-2H3
InChIKeyCPEIWPLLMHGAPY-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79587185) is [2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol is CC(C)NC1(CO)CCCC1CCSc1ccc(F)cc1.
What is the InChIKey of [2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is CPEIWPLLMHGAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNOS/c1-13(2)19-17(12-20)10-3-4-14(17)9-11-21-16-7-5-15(18)6-8-16/h5-8,13-14,19-20H,3-4,9-12H2,1-2H3.
What are the key properties of [2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
[2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 311.47 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79587185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).