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

C10H13F3N2OS — CID 64806386

IUPAC2-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
SMILESCNC(CO)CSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2OS/c1-14-8(5-16)6-17-9-3-2-7(4-15-9)10(11,12)13/h2-4,8,14,16H,5-6H2,1H3
InChIKeyOPGASUGBKAHABR-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.77
Rot. Bonds5

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

2-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol (PubChem CID 64806386) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
PubChem CID64806386
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name2-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
SMILESCNC(CO)CSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2OS/c1-14-8(5-16)6-17-9-3-2-7(4-15-9)10(11,12)13/h2-4,8,14,16H,5-6H2,1H3
InChIKeyOPGASUGBKAHABR-UHFFFAOYSA-N
XLogP1.77
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-4-methoxybutan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 119037667
2-(cyclopropylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol
CID 64805558
2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide
CID 63035550
2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]propan-1-amine
CID 55092132
3-[(5-tert-butyl-2-pyridinyl)sulfanyl]propane-1,2-diol
CID 107875022
1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
CID 64619378
trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane
CID 640487
N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridin-2-amine
CID 79239135
N-(2-methylbutan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 47111305
N-[1-(4-bromophenyl)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55364493
2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethoxy]ethanol
CID 61075891
2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 79629137

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
The IUPAC name of 2-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol (CID 64806386) is 2-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol.
What is the SMILES notation for 2-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
The canonical SMILES for 2-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol is CNC(CO)CSc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
The InChIKey is OPGASUGBKAHABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-14-8(5-16)6-17-9-3-2-7(4-15-9)10(11,12)13/h2-4,8,14,16H,5-6H2,1H3.
What are the key properties of 2-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
2-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol has a molecular weight of 266.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol is sourced from PubChem (CID 64806386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).