(R)-2-methyl-N-[(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-yl]propane-2-sulfinamide

C11H22F3NOS — CID 122577421

IUPAC(R)-2-methyl-N-[(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-yl]propane-2-sulfinamide
SMILESCC(C)[C@H](C)[C@H](N[S@](=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H22F3NOS/c1-7(2)8(3)9(11(12,13)14)15-17(16)10(4,5)6/h7-9,15H,1-6H3/t8-,9-,17+/m0/s1
InChIKeySWKOFLADEAKQHS-IRWWLHRVSA-N
MW273.36 g/mol
LogP3.26
Rot. Bonds4

About (R)-2-methyl-N-[(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-yl]propane-2-sulfinamide

(R)-2-methyl-N-[(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-yl]propane-2-sulfinamide (PubChem CID 122577421) has the molecular formula C11H22F3NOS and a molecular weight of 273.36 g/mol. Its IUPAC name is (R)-2-methyl-N-[(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-yl]propane-2-sulfinamide
PubChem CID122577421
Molecular FormulaC11H22F3NOS
Molecular Weight273.36 g/mol
Exact Mass273.14
IUPAC Name(R)-2-methyl-N-[(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-yl]propane-2-sulfinamide
SMILESCC(C)[C@H](C)[C@H](N[S@](=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H22F3NOS/c1-7(2)8(3)9(11(12,13)14)15-17(16)10(4,5)6/h7-9,15H,1-6H3/t8-,9-,17+/m0/s1
InChIKeySWKOFLADEAKQHS-IRWWLHRVSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-yl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-yl]propane-2-sulfinamide (CID 122577421) is (R)-2-methyl-N-[(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-yl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-yl]propane-2-sulfinamide is CC(C)[C@H](C)[C@H](N[S@](=O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of (R)-2-methyl-N-[(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-yl]propane-2-sulfinamide?
The InChIKey is SWKOFLADEAKQHS-IRWWLHRVSA-N. The full InChI is InChI=1S/C11H22F3NOS/c1-7(2)8(3)9(11(12,13)14)15-17(16)10(4,5)6/h7-9,15H,1-6H3/t8-,9-,17+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-yl]propane-2-sulfinamide?
(R)-2-methyl-N-[(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-yl]propane-2-sulfinamide has a molecular weight of 273.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 122577421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).