2-cyclopropyl-2-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol

C15H20FNOS — CID 64805552

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol
SMILESOCC(CSc1ccc(F)cc1)(NC1CC1)C1CC1
InChIInChI=1S/C15H20FNOS/c16-12-3-7-14(8-4-12)19-10-15(9-18,11-1-2-11)17-13-5-6-13/h3-4,7-8,11,13,17-18H,1-2,5-6,9-10H2
InChIKeyGGFGMQVWQWNLIS-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.81
Rot. Bonds7

About 2-cyclopropyl-2-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol

2-cyclopropyl-2-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol (PubChem CID 64805552) has the molecular formula C15H20FNOS and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol
PubChem CID64805552
Molecular FormulaC15H20FNOS
Molecular Weight281.40 g/mol
Exact Mass281.12
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol
SMILESOCC(CSc1ccc(F)cc1)(NC1CC1)C1CC1
InChIInChI=1S/C15H20FNOS/c16-12-3-7-14(8-4-12)19-10-15(9-18,11-1-2-11)17-13-5-6-13/h3-4,7-8,11,13,17-18H,1-2,5-6,9-10H2
InChIKeyGGFGMQVWQWNLIS-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 43166334
1-(Cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 43166355
3-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61245322
3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61245785
3-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61246189
2-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246337
2-(2,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246501
2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246795
2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61247211
2-Cyclopropyl-2-(cyclopropylamino)-3-(2,5-difluorophenyl)sulfanylpropanoic acid
CID 63916328
2-Cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenyl)sulfanylpropanoic acid
CID 63916487
2-Cyclopropyl-2-(cyclopropylamino)-3-(3,4-difluorophenyl)sulfanylpropanoic acid
CID 63917069

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol (CID 64805552) is 2-cyclopropyl-2-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol is OCC(CSc1ccc(F)cc1)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol?
The InChIKey is GGFGMQVWQWNLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNOS/c16-12-3-7-14(8-4-12)19-10-15(9-18,11-1-2-11)17-13-5-6-13/h3-4,7-8,11,13,17-18H,1-2,5-6,9-10H2.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol?
2-cyclopropyl-2-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol is sourced from PubChem (CID 64805552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).