2-methyl-1-methylsulfanyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol

C12H22F3NOS — CID 104844744

IUPAC2-methyl-1-methylsulfanyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
SMILESCSCC(C)(O)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NOS/c1-11(17,8-18-2)7-16-10-5-3-9(4-6-10)12(13,14)15/h9-10,16-17H,3-8H2,1-2H3
InChIKeyOVFZTLOETPUSPR-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.81
Rot. Bonds5

About 2-methyl-1-methylsulfanyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol

2-methyl-1-methylsulfanyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol (PubChem CID 104844744) has the molecular formula C12H22F3NOS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
PubChem CID104844744
Molecular FormulaC12H22F3NOS
Molecular Weight285.37 g/mol
Exact Mass285.14
IUPAC Name2-methyl-1-methylsulfanyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
SMILESCSCC(C)(O)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NOS/c1-11(17,8-18-2)7-16-10-5-3-9(4-6-10)12(13,14)15/h9-10,16-17H,3-8H2,1-2H3
InChIKeyOVFZTLOETPUSPR-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol (CID 104844744) is 2-methyl-1-methylsulfanyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol is CSCC(C)(O)CNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The InChIKey is OVFZTLOETPUSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NOS/c1-11(17,8-18-2)7-16-10-5-3-9(4-6-10)12(13,14)15/h9-10,16-17H,3-8H2,1-2H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
2-methyl-1-methylsulfanyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol has a molecular weight of 285.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 104844744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).