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

C10H20F3NOS — CID 134920582

IUPAC2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide
SMILESCC(C)(C)[C@H](NS(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3NOS/c1-8(2,3)7(10(11,12)13)14-16(15)9(4,5)6/h7,14H,1-6H3/t7-,16?/m0/s1
InChIKeyHTPPSTBGTZPJSU-RWNHWRGESA-N
MW259.34 g/mol
LogP3.02
Rot. Bonds2

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

2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide (PubChem CID 134920582) has the molecular formula C10H20F3NOS and a molecular weight of 259.34 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide
PubChem CID134920582
Molecular FormulaC10H20F3NOS
Molecular Weight259.34 g/mol
Exact Mass259.12
IUPAC Name2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide
SMILESCC(C)(C)[C@H](NS(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3NOS/c1-8(2,3)7(10(11,12)13)14-16(15)9(4,5)6/h7,14H,1-6H3/t7-,16?/m0/s1
InChIKeyHTPPSTBGTZPJSU-RWNHWRGESA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-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
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-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propane-2-sulfinamide
CID 87159547
(R)-2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]propane-2-sulfinamide
CID 87159616
(R)-2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide
CID 87159671
N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide
CID 87159674
(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
(S)-2-methyl-N-(1,1,1,2,2-pentafluoro-4,4-dimethylpentan-3-yl)propane-2-sulfinamide
CID 134360039
2-methyl-N-(4,4,4-trifluorobutan-2-yl)propane-2-sulfinamide
CID 138544228

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide (CID 134920582) is 2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide is CC(C)(C)[C@H](NS(=O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide?
The InChIKey is HTPPSTBGTZPJSU-RWNHWRGESA-N. The full InChI is InChI=1S/C10H20F3NOS/c1-8(2,3)7(10(11,12)13)14-16(15)9(4,5)6/h7,14H,1-6H3/t7-,16?/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide?
2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide has a molecular weight of 259.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 134920582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).