2-cyclopropyl-3-(2,4-difluorophenyl)sulfanyl-2-(propylamino)propan-1-ol

C15H21F2NOS — CID 64819479

IUPAC2-cyclopropyl-3-(2,4-difluorophenyl)sulfanyl-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CSc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C15H21F2NOS/c1-2-7-18-15(9-19,11-3-4-11)10-20-14-6-5-12(16)8-13(14)17/h5-6,8,11,18-19H,2-4,7,9-10H2,1H3
InChIKeyPLJUPZBVRBDCTJ-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.20
Rot. Bonds8

About 2-cyclopropyl-3-(2,4-difluorophenyl)sulfanyl-2-(propylamino)propan-1-ol

2-cyclopropyl-3-(2,4-difluorophenyl)sulfanyl-2-(propylamino)propan-1-ol (PubChem CID 64819479) has the molecular formula C15H21F2NOS and a molecular weight of 301.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,4-difluorophenyl)sulfanyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,4-difluorophenyl)sulfanyl-2-(propylamino)propan-1-ol
PubChem CID64819479
Molecular FormulaC15H21F2NOS
Molecular Weight301.40 g/mol
Exact Mass301.13
IUPAC Name2-cyclopropyl-3-(2,4-difluorophenyl)sulfanyl-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CSc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C15H21F2NOS/c1-2-7-18-15(9-19,11-3-4-11)10-20-14-6-5-12(16)8-13(14)17/h5-6,8,11,18-19H,2-4,7,9-10H2,1H3
InChIKeyPLJUPZBVRBDCTJ-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,4-difluorophenyl)sulfanyl-2-(propylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(2,4-difluorophenyl)sulfanyl-2-(propylamino)propan-1-ol (CID 64819479) is 2-cyclopropyl-3-(2,4-difluorophenyl)sulfanyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(2,4-difluorophenyl)sulfanyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(2,4-difluorophenyl)sulfanyl-2-(propylamino)propan-1-ol is CCCNC(CO)(CSc1ccc(F)cc1F)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,4-difluorophenyl)sulfanyl-2-(propylamino)propan-1-ol?
The InChIKey is PLJUPZBVRBDCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NOS/c1-2-7-18-15(9-19,11-3-4-11)10-20-14-6-5-12(16)8-13(14)17/h5-6,8,11,18-19H,2-4,7,9-10H2,1H3.
What are the key properties of 2-cyclopropyl-3-(2,4-difluorophenyl)sulfanyl-2-(propylamino)propan-1-ol?
2-cyclopropyl-3-(2,4-difluorophenyl)sulfanyl-2-(propylamino)propan-1-ol has a molecular weight of 301.40 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,4-difluorophenyl)sulfanyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64819479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).