(S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethyl]propane-2-sulfinamide

C16H18F3NOS2 — CID 72714285

IUPAC(S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@](c1ccccc1)(c1cccs1)C(F)(F)F
InChIInChI=1S/C16H18F3NOS2/c1-14(2,3)23(21)20-15(16(17,18)19,13-10-7-11-22-13)12-8-5-4-6-9-12/h4-11,20H,1-3H3/t15-,23+/m1/s1
InChIKeyCJRZBYAPSOQSRS-CMJOXMDJSA-N
MW361.45 g/mol
LogP4.61
Rot. Bonds4

About (S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethyl]propane-2-sulfinamide

(S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethyl]propane-2-sulfinamide (PubChem CID 72714285) has the molecular formula C16H18F3NOS2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethyl]propane-2-sulfinamide
PubChem CID72714285
Molecular FormulaC16H18F3NOS2
Molecular Weight361.45 g/mol
Exact Mass361.08
IUPAC Name(S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@](c1ccccc1)(c1cccs1)C(F)(F)F
InChIInChI=1S/C16H18F3NOS2/c1-14(2,3)23(21)20-15(16(17,18)19,13-10-7-11-22-13)12-8-5-4-6-9-12/h4-11,20H,1-3H3/t15-,23+/m1/s1
InChIKeyCJRZBYAPSOQSRS-CMJOXMDJSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethyl]propane-2-sulfinamide with MolForge

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Related Compounds

(R)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-isocyano-1-phenylethyl]propane-2-sulfinamide
CID 134996941
N-[(1S)-1-cyano-2,2,2-trifluoro-1-phenylethyl]-2-methylpropane-2-sulfinamide
CID 102178621
(1R)-1-phenyl-1-thiophen-2-ylethanol
CID 674763
2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide
CID 15370362
(R)-2-methyl-N-[(1S)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]propane-2-sulfinamide
CID 71659595
(S)-N-[(1R)-1-diethylphosphoryl-1-phenylethyl]-2-methylpropane-2-sulfinamide
CID 135006095
(3R)-3-(tert-butylsulfinylamino)-3-phenylbutanoic acid
CID 59627207
tert-butylbenzene;5-tert-butylpyrimidine;2-tert-butylthiophene
CID 158723352
2-[dichloro(phenyl)methyl]thiophene
CID 12792430
2-(chloro-phenyl-thiophen-2-ylmethyl)thiophene
CID 139749250
2-(tert-butylsulfinylamino)-2-phenylbutanoic acid
CID 118565605
(S)-2-methyl-N-[(E,2R)-1,1,1-trifluoro-2,7-diphenylhept-3-en-2-yl]propane-2-sulfinamide
CID 163849727

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethyl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethyl]propane-2-sulfinamide (CID 72714285) is (S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethyl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethyl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethyl]propane-2-sulfinamide is CC(C)(C)[S@](=O)N[C@](c1ccccc1)(c1cccs1)C(F)(F)F.
What is the InChIKey of (S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethyl]propane-2-sulfinamide?
The InChIKey is CJRZBYAPSOQSRS-CMJOXMDJSA-N. The full InChI is InChI=1S/C16H18F3NOS2/c1-14(2,3)23(21)20-15(16(17,18)19,13-10-7-11-22-13)12-8-5-4-6-9-12/h4-11,20H,1-3H3/t15-,23+/m1/s1.
What are the key properties of (S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethyl]propane-2-sulfinamide?
(S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethyl]propane-2-sulfinamide has a molecular weight of 361.45 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethyl]propane-2-sulfinamide is sourced from PubChem (CID 72714285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).