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

C11H22F3NOS — CID 139193296

IUPAC(S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-2,3-dimethylpentan-2-yl]propane-2-sulfinamide
SMILESCC[C@@H](C)[C@@](C)(N[S@@](=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H22F3NOS/c1-7-8(2)10(6,11(12,13)14)15-17(16)9(3,4)5/h8,15H,7H2,1-6H3/t8-,10-,17+/m1/s1
InChIKeyCWRHHZQNKAYZSE-PGDRKKNUSA-N
MW273.36 g/mol
LogP3.41
Rot. Bonds4

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

(S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-2,3-dimethylpentan-2-yl]propane-2-sulfinamide (PubChem CID 139193296) has the molecular formula C11H22F3NOS and a molecular weight of 273.36 g/mol. Its IUPAC name is (S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-2,3-dimethylpentan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-2,3-dimethylpentan-2-yl]propane-2-sulfinamide
PubChem CID139193296
Molecular FormulaC11H22F3NOS
Molecular Weight273.36 g/mol
Exact Mass273.14
IUPAC Name(S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-2,3-dimethylpentan-2-yl]propane-2-sulfinamide
SMILESCC[C@@H](C)[C@@](C)(N[S@@](=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H22F3NOS/c1-7-8(2)10(6,11(12,13)14)15-17(16)9(3,4)5/h8,15H,7H2,1-6H3/t8-,10-,17+/m1/s1
InChIKeyCWRHHZQNKAYZSE-PGDRKKNUSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-2,3-dimethylpentan-2-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-2,3-dimethylpentan-2-yl]propane-2-sulfinamide (CID 139193296) is (S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-2,3-dimethylpentan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-2,3-dimethylpentan-2-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-2,3-dimethylpentan-2-yl]propane-2-sulfinamide is CC[C@@H](C)[C@@](C)(N[S@@](=O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of (S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-2,3-dimethylpentan-2-yl]propane-2-sulfinamide?
The InChIKey is CWRHHZQNKAYZSE-PGDRKKNUSA-N. The full InChI is InChI=1S/C11H22F3NOS/c1-7-8(2)10(6,11(12,13)14)15-17(16)9(3,4)5/h8,15H,7H2,1-6H3/t8-,10-,17+/m1/s1.
What are the key properties of (S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-2,3-dimethylpentan-2-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-2,3-dimethylpentan-2-yl]propane-2-sulfinamide has a molecular weight of 273.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(2R,3R)-1,1,1-trifluoro-2,3-dimethylpentan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 139193296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).