N-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide

C14H19BrF3NOS — CID 118492014

IUPACN-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESC[C@@H](c1cc(Br)cc(C(F)(F)F)c1)N(C)S(=O)C(C)(C)C
InChIInChI=1S/C14H19BrF3NOS/c1-9(19(5)21(20)13(2,3)4)10-6-11(14(16,17)18)8-12(15)7-10/h6-9H,1-5H3/t9-,21?/m0/s1
InChIKeyGQWDNHAEXHRBBG-BZEUWDEWSA-N
MW386.28 g/mol
LogP4.92
Rot. Bonds3

About N-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide

N-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide (PubChem CID 118492014) has the molecular formula C14H19BrF3NOS and a molecular weight of 386.28 g/mol. Its IUPAC name is N-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide
PubChem CID118492014
Molecular FormulaC14H19BrF3NOS
Molecular Weight386.28 g/mol
Exact Mass385.03
IUPAC NameN-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESC[C@@H](c1cc(Br)cc(C(F)(F)F)c1)N(C)S(=O)C(C)(C)C
InChIInChI=1S/C14H19BrF3NOS/c1-9(19(5)21(20)13(2,3)4)10-6-11(14(16,17)18)8-12(15)7-10/h6-9H,1-5H3/t9-,21?/m0/s1
InChIKeyGQWDNHAEXHRBBG-BZEUWDEWSA-N
XLogP4.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide 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

N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide
CID 123992017
N-[tert-butyl(methylidene)-λ4-sulfanyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 123905708
(1S,2R)-1-amino-1-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol
CID 171268800
2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine
CID 117111932
methyl (2R)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]acetate;hydrochloride
CID 171226749
(2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171263130
2-bromo-1-[3-bromo-5-(trifluoromethyl)phenyl]ethanol
CID 70189456
(R)-N-[(S)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 156620896
(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 131485773
(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171226723
(2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol
CID 66515645
(1R,2S)-1-amino-1-[3-bromo-5-(trifluoromethyl)phenyl]-5-methylhexan-2-ol
CID 171263137

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide (CID 118492014) is N-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide is C[C@@H](c1cc(Br)cc(C(F)(F)F)c1)N(C)S(=O)C(C)(C)C.
What is the InChIKey of N-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide?
The InChIKey is GQWDNHAEXHRBBG-BZEUWDEWSA-N. The full InChI is InChI=1S/C14H19BrF3NOS/c1-9(19(5)21(20)13(2,3)4)10-6-11(14(16,17)18)8-12(15)7-10/h6-9H,1-5H3/t9-,21?/m0/s1.
What are the key properties of N-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide?
N-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide has a molecular weight of 386.28 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide is sourced from PubChem (CID 118492014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).