2-amino-2-cyclopropyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol

C12H15F3N2OS — CID 64807631

IUPAC2-amino-2-cyclopropyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
SMILESNC(CO)(CSc1ccc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C12H15F3N2OS/c13-12(14,15)9-3-4-10(17-5-9)19-7-11(16,6-18)8-1-2-8/h3-5,8,18H,1-2,6-7,16H2
InChIKeyGUOPPXNGYTZXJC-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.29
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol

2-amino-2-cyclopropyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol (PubChem CID 64807631) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
PubChem CID64807631
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name2-amino-2-cyclopropyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
SMILESNC(CO)(CSc1ccc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C12H15F3N2OS/c13-12(14,15)9-3-4-10(17-5-9)19-7-11(16,6-18)8-1-2-8/h3-5,8,18H,1-2,6-7,16H2
InChIKeyGUOPPXNGYTZXJC-UHFFFAOYSA-N
XLogP2.29
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(Trifluoromethyl)pyridin-2-yl]sulfanylacetamide
CID 2727805
N'-hydroxy-2-{[3-(trifluoromethyl)pyridin-2-yl]thio}ethanimidamide
CID 9580946
N'-hydroxy-2-[3-(trifluoromethyl)pyridin-2-yl]sulfanylethanimidamide
CID 2744984
2-[[5-(Trifluoromethyl)-2-pyridinyl]sulfonyl]ethanol
CID 2800625
N-tert-butyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 45854722
N-(3-hydroxypropyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 132456191
2-{[5-(Trifluoromethyl)-2-pyridyl]thio}ethan-1-ol
CID 2779637
3-[5-(Trifluoromethyl)pyridin-2-yl]sulfanylpropanal
CID 14347987
[4-[5-(Trifluoromethyl)pyridin-2-yl]sulfanyl-2,5-dihydrothiophen-3-yl]methanol
CID 20623704
2-(2-Aminoethylthio)-5-(trifluoromethyl)pyridine
CID 28379997
3-[5-(Trifluoromethyl)pyridin-2-yl]sulfanylpropan-1-amine
CID 28380000
2-[5-(Trifluoromethyl)pyridin-2-yl]sulfinylethanamine
CID 58684276

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol (CID 64807631) is 2-amino-2-cyclopropyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol is NC(CO)(CSc1ccc(C(F)(F)F)cn1)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
The InChIKey is GUOPPXNGYTZXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c13-12(14,15)9-3-4-10(17-5-9)19-7-11(16,6-18)8-1-2-8/h3-5,8,18H,1-2,6-7,16H2.
What are the key properties of 2-amino-2-cyclopropyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
2-amino-2-cyclopropyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol has a molecular weight of 292.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol is sourced from PubChem (CID 64807631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).