(S)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide

C11H20F5NOS — CID 134360039

IUPAC(S)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide
SMILESCC(C)(C)C(N[S@@](=O)C(C)(C)C)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H20F5NOS/c1-8(2,3)7(10(12,13)11(14,15)16)17-19(18)9(4,5)6/h7,17H,1-6H3/t7?,19-/m0/s1
InChIKeyJCKBDBGGZLZGTO-BTJLCUAISA-N
MW309.34 g/mol
LogP3.65
Rot. Bonds3

About (S)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide

(S)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide (PubChem CID 134360039) has the molecular formula C11H20F5NOS and a molecular weight of 309.34 g/mol. Its IUPAC name is (S)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide
PubChem CID134360039
Molecular FormulaC11H20F5NOS
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name(S)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide
SMILESCC(C)(C)C(N[S@@](=O)C(C)(C)C)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H20F5NOS/c1-8(2,3)7(10(12,13)11(14,15)16)17-19(18)9(4,5)6/h7,17H,1-6H3/t7?,19-/m0/s1
InChIKeyJCKBDBGGZLZGTO-BTJLCUAISA-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 ≤ 500309.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (S)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide with MolForge

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Related Compounds

(R)-2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide
CID 11345967
2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide
CID 134920582
N-[(2R)-1,1-difluoro-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 134964932
tert-butyl-oxido-[[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]amino]sulfanium
CID 134969143
2-Methyl-propane-2-sulfinic acid ((S)-3,3,3-trifluoro-1,2,2-trimethyl-propyl)-amide
CID 86659432
(S)-2-methyl-N-(4,4,4-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide
CID 123749641
2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide
CID 134348721
(R)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide
CID 139446286
2-methyl-N-[(2S)-1,1,5,5,5-pentafluoropentan-2-yl]propane-2-sulfinamide
CID 164536410
Tert-butyl-oxido-[(1,1,1,2,2-pentafluoro-4,4-dimethylheptan-3-yl)amino]sulfanium
CID 173749831
Tert-butyl-oxido-[(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)amino]sulfanium
CID 175348825
1,1,1-trifluoro-N-(2,2,4,4-tetramethylpentan-3-yl)methanesulfonamide
CID 177280021

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide (CID 134360039) is (S)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide is CC(C)(C)C(N[S@@](=O)C(C)(C)C)C(F)(F)C(F)(F)F.
What is the InChIKey of (S)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide?
The InChIKey is JCKBDBGGZLZGTO-BTJLCUAISA-N. The full InChI is InChI=1S/C11H20F5NOS/c1-8(2,3)7(10(12,13)11(14,15)16)17-19(18)9(4,5)6/h7,17H,1-6H3/t7?,19-/m0/s1.
What are the key properties of (S)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide?
(S)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide has a molecular weight of 309.34 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 (S)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide is sourced from PubChem (CID 134360039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).