N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine

C15H20F3NS — CID 166663654

IUPACN-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
SMILESCC(C)(C)SNC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C15H20F3NS/c1-13(2,3)20-19-14(8-5-9-14)11-6-4-7-12(10-11)15(16,17)18/h4,6-7,10,19H,5,8-9H2,1-3H3
InChIKeyCMMJEUBQDKWUJH-UHFFFAOYSA-N
MW303.39 g/mol
LogP5.12
Rot. Bonds3

About N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine

N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine (PubChem CID 166663654) has the molecular formula C15H20F3NS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
PubChem CID166663654
Molecular FormulaC15H20F3NS
Molecular Weight303.39 g/mol
Exact Mass303.13
IUPAC NameN-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
SMILESCC(C)(C)SNC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C15H20F3NS/c1-13(2,3)20-19-14(8-5-9-14)11-6-4-7-12(10-11)15(16,17)18/h4,6-7,10,19H,5,8-9H2,1-3H3
InChIKeyCMMJEUBQDKWUJH-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.39
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine 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

4-(3-tert-butylphenyl)-N-tert-butylsulfanyloxan-4-amine
CID 143083117
N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide
CID 71997220
2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride
CID 119806409
1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene
CID 59590181
4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide
CID 120563496
2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride
CID 119806417
5-(1-hydrazinylethenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrimidin-2-amine
CID 145295570
2-(4-aminophenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide
CID 119806400
1-[3-(trifluoromethyl)phenyl]-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea
CID 100766675
5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide
CID 120636519
methyl N-[3-oxo-3-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]amino]propyl]carbamate
CID 71998913
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 120593516

Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine?
The IUPAC name of N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine (CID 166663654) is N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine?
The canonical SMILES for N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine is CC(C)(C)SNC1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine?
The InChIKey is CMMJEUBQDKWUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NS/c1-13(2,3)20-19-14(8-5-9-14)11-6-4-7-12(10-11)15(16,17)18/h4,6-7,10,19H,5,8-9H2,1-3H3.
What are the key properties of N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine?
N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine has a molecular weight of 303.39 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 166663654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).