2-methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol

C9H18F3NOS — CID 106293157

IUPAC2-methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol
SMILESCCCC(C)(O)CNCCSC(F)(F)F
InChIInChI=1S/C9H18F3NOS/c1-3-4-8(2,14)7-13-5-6-15-9(10,11)12/h13-14H,3-7H2,1-2H3
InChIKeyPOXHRENRCOQYOS-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.38
Rot. Bonds7

About 2-methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol

2-methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol (PubChem CID 106293157) has the molecular formula C9H18F3NOS and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol
PubChem CID106293157
Molecular FormulaC9H18F3NOS
Molecular Weight245.31 g/mol
Exact Mass245.11
IUPAC Name2-methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol
SMILESCCCC(C)(O)CNCCSC(F)(F)F
InChIInChI=1S/C9H18F3NOS/c1-3-4-8(2,14)7-13-5-6-15-9(10,11)12/h13-14H,3-7H2,1-2H3
InChIKeyPOXHRENRCOQYOS-UHFFFAOYSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5,5-Trifluoro-2-methyl-1-(propylamino)pentan-2-ol
CID 66037473
1-(Ethylamino)-5,5,5-trifluoro-2-methylpentan-2-ol
CID 66037935
5,5,5-Trifluoro-2-methyl-1-(2-methylpropylamino)pentan-2-ol
CID 66039667
2,4-Dimethyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 66171657
1-(2,2-Difluoroethylamino)-2,4-dimethylpentan-2-ol
CID 66174062
2,3-Dimethyl-3-[2-(trifluoromethylsulfanyl)ethylamino]butan-2-ol
CID 106190171
2-Methyl-1-methylsulfanyl-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 106247049
2-Methyl-1-methylsulfanyl-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 106247051
3-Ethyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol
CID 106286211
2-Methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106292541
2-Methyl-1-(4,4,4-trifluorobutylamino)pentan-2-ol
CID 106292743
1-(2,2-Difluoroethylamino)-2-methylpentan-2-ol
CID 106292920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol?
The IUPAC name of 2-methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol (CID 106293157) is 2-methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol.
What is the SMILES notation for 2-methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol?
The canonical SMILES for 2-methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol is CCCC(C)(O)CNCCSC(F)(F)F.
What is the InChIKey of 2-methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol?
The InChIKey is POXHRENRCOQYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NOS/c1-3-4-8(2,14)7-13-5-6-15-9(10,11)12/h13-14H,3-7H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol?
2-methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol has a molecular weight of 245.31 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol is sourced from PubChem (CID 106293157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).