2-cyclopropyl-3-(2-fluorophenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol

C15H22FNOS — CID 64806788

IUPAC2-cyclopropyl-3-(2-fluorophenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(CSc1ccccc1F)C1CC1
InChIInChI=1S/C15H22FNOS/c1-11(2)17-15(9-18,12-7-8-12)10-19-14-6-4-3-5-13(14)16/h3-6,11-12,17-18H,7-10H2,1-2H3
InChIKeyJVOWIAFBRHSJTL-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.06
Rot. Bonds7

About 2-cyclopropyl-3-(2-fluorophenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol

2-cyclopropyl-3-(2-fluorophenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64806788) has the molecular formula C15H22FNOS and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-fluorophenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-fluorophenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64806788
Molecular FormulaC15H22FNOS
Molecular Weight283.41 g/mol
Exact Mass283.14
IUPAC Name2-cyclopropyl-3-(2-fluorophenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(CSc1ccccc1F)C1CC1
InChIInChI=1S/C15H22FNOS/c1-11(2)17-15(9-18,12-7-8-12)10-19-14-6-4-3-5-13(14)16/h3-6,11-12,17-18H,7-10H2,1-2H3
InChIKeyJVOWIAFBRHSJTL-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-fluorophenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(2-fluorophenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol (CID 64806788) is 2-cyclopropyl-3-(2-fluorophenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(2-fluorophenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(2-fluorophenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(CO)(CSc1ccccc1F)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-fluorophenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is JVOWIAFBRHSJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNOS/c1-11(2)17-15(9-18,12-7-8-12)10-19-14-6-4-3-5-13(14)16/h3-6,11-12,17-18H,7-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(2-fluorophenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol?
2-cyclopropyl-3-(2-fluorophenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 283.41 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-fluorophenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64806788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).