2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide

C13H18F3NOS — CID 58570968

IUPAC2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide
SMILESCc1ccccc1[C@H](NS(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C13H18F3NOS/c1-9-7-5-6-8-10(9)11(13(14,15)16)17-19(18)12(2,3)4/h5-8,11,17H,1-4H3/t11-,19?/m0/s1
InChIKeySRRBRWCAEISDMQ-IFGYVTRGSA-N
MW293.35 g/mol
LogP3.65
Rot. Bonds3

About 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide

2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide (PubChem CID 58570968) has the molecular formula C13H18F3NOS and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide
PubChem CID58570968
Molecular FormulaC13H18F3NOS
Molecular Weight293.35 g/mol
Exact Mass293.11
IUPAC Name2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide
SMILESCc1ccccc1[C@H](NS(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C13H18F3NOS/c1-9-7-5-6-8-10(9)11(13(14,15)16)17-19(18)12(2,3)4/h5-8,11,17H,1-4H3/t11-,19?/m0/s1
InChIKeySRRBRWCAEISDMQ-IFGYVTRGSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide
CID 102258355
(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide
CID 161379144
(R)-N-[(1S)-1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 176572846
N-[(S)-(2-ditert-butylphosphanylphenyl)-(2-methylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 162393879
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylphenyl)acetate
CID 134940254
2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 134988458
N-(2,2-difluoro-3-hydroxy-1-phenylpropyl)-2-methylpropane-2-sulfinamide
CID 121314661
(S)-2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-ynyl]propane-2-sulfinamide
CID 165386588
(S)-N-[(1S)-1-[1-(2,2-dimethylpropyl)-5-fluoro-6-methylindol-3-yl]-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 166912188
(R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide
CID 99646735
2,2,2-trifluoro-N-[(1R)-1-(2-methylphenyl)ethyl]-1-phenylethanamine
CID 81364335
(S)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]propane-2-sulfinamide
CID 72723908

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide (CID 58570968) is 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide is Cc1ccccc1[C@H](NS(=O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide?
The InChIKey is SRRBRWCAEISDMQ-IFGYVTRGSA-N. The full InChI is InChI=1S/C13H18F3NOS/c1-9-7-5-6-8-10(9)11(13(14,15)16)17-19(18)12(2,3)4/h5-8,11,17H,1-4H3/t11-,19?/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide?
2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide has a molecular weight of 293.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 58570968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).