1-tert-butylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine

C10H20F3NS — CID 65132890

IUPAC1-tert-butylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
SMILESCNC(CCC(F)(F)F)CSC(C)(C)C
InChIInChI=1S/C10H20F3NS/c1-9(2,3)15-7-8(14-4)5-6-10(11,12)13/h8,14H,5-7H2,1-4H3
InChIKeyMILZHMJDIHNMKA-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.45
Rot. Bonds5

About 1-tert-butylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine

1-tert-butylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine (PubChem CID 65132890) has the molecular formula C10H20F3NS and a molecular weight of 243.34 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
PubChem CID65132890
Molecular FormulaC10H20F3NS
Molecular Weight243.34 g/mol
Exact Mass243.13
IUPAC Name1-tert-butylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
SMILESCNC(CCC(F)(F)F)CSC(C)(C)C
InChIInChI=1S/C10H20F3NS/c1-9(2,3)15-7-8(14-4)5-6-10(11,12)13/h8,14H,5-7H2,1-4H3
InChIKeyMILZHMJDIHNMKA-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-tert-butylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine (CID 65132890) is 1-tert-butylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine is CNC(CCC(F)(F)F)CSC(C)(C)C.
What is the InChIKey of 1-tert-butylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine?
The InChIKey is MILZHMJDIHNMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NS/c1-9(2,3)15-7-8(14-4)5-6-10(11,12)13/h8,14H,5-7H2,1-4H3.
What are the key properties of 1-tert-butylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine?
1-tert-butylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine has a molecular weight of 243.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine is sourced from PubChem (CID 65132890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).