(R)-2-methyl-N-[(2S)-1,1,1-trifluoro-4-methylsulfanylbutan-2-yl]propane-2-sulfinamide

C9H18F3NOS2 — CID 167117121

IUPAC(R)-2-methyl-N-[(2S)-1,1,1-trifluoro-4-methylsulfanylbutan-2-yl]propane-2-sulfinamide
SMILESCSCC[C@H](N[S@](=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3NOS2/c1-8(2,3)16(14)13-7(5-6-15-4)9(10,11)12/h7,13H,5-6H2,1-4H3/t7-,16+/m0/s1
InChIKeyTWBVDRQYWKGKDX-HYORBCNSSA-N
MW277.38 g/mol
LogP2.72
Rot. Bonds5

About (R)-2-methyl-N-[(2S)-1,1,1-trifluoro-4-methylsulfanylbutan-2-yl]propane-2-sulfinamide

(R)-2-methyl-N-[(2S)-1,1,1-trifluoro-4-methylsulfanylbutan-2-yl]propane-2-sulfinamide (PubChem CID 167117121) has the molecular formula C9H18F3NOS2 and a molecular weight of 277.38 g/mol. Its IUPAC name is (R)-2-methyl-N-[(2S)-1,1,1-trifluoro-4-methylsulfanylbutan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(2S)-1,1,1-trifluoro-4-methylsulfanylbutan-2-yl]propane-2-sulfinamide
PubChem CID167117121
Molecular FormulaC9H18F3NOS2
Molecular Weight277.38 g/mol
Exact Mass277.08
IUPAC Name(R)-2-methyl-N-[(2S)-1,1,1-trifluoro-4-methylsulfanylbutan-2-yl]propane-2-sulfinamide
SMILESCSCC[C@H](N[S@](=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3NOS2/c1-8(2,3)16(14)13-7(5-6-15-4)9(10,11)12/h7,13H,5-6H2,1-4H3/t7-,16+/m0/s1
InChIKeyTWBVDRQYWKGKDX-HYORBCNSSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(2S)-1,1,1-trifluoro-4-methylsulfanylbutan-2-yl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(2S)-1,1,1-trifluoro-4-methylsulfanylbutan-2-yl]propane-2-sulfinamide (CID 167117121) is (R)-2-methyl-N-[(2S)-1,1,1-trifluoro-4-methylsulfanylbutan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(2S)-1,1,1-trifluoro-4-methylsulfanylbutan-2-yl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(2S)-1,1,1-trifluoro-4-methylsulfanylbutan-2-yl]propane-2-sulfinamide is CSCC[C@H](N[S@](=O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of (R)-2-methyl-N-[(2S)-1,1,1-trifluoro-4-methylsulfanylbutan-2-yl]propane-2-sulfinamide?
The InChIKey is TWBVDRQYWKGKDX-HYORBCNSSA-N. The full InChI is InChI=1S/C9H18F3NOS2/c1-8(2,3)16(14)13-7(5-6-15-4)9(10,11)12/h7,13H,5-6H2,1-4H3/t7-,16+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(2S)-1,1,1-trifluoro-4-methylsulfanylbutan-2-yl]propane-2-sulfinamide?
(R)-2-methyl-N-[(2S)-1,1,1-trifluoro-4-methylsulfanylbutan-2-yl]propane-2-sulfinamide has a molecular weight of 277.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(2S)-1,1,1-trifluoro-4-methylsulfanylbutan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 167117121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).