2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide

C8H16F3NOS — CID 138544531

IUPAC2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide
SMILESC[C@@H](CC(F)(F)F)NS(=O)C(C)(C)C
InChIInChI=1S/C8H16F3NOS/c1-6(5-8(9,10)11)12-14(13)7(2,3)4/h6,12H,5H2,1-4H3/t6-,14?/m0/s1
InChIKeyIDRUPGRMJQWFTD-TZKMECQKSA-N
MW231.28 g/mol
LogP2.38
Rot. Bonds3

About 2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide

2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide (PubChem CID 138544531) has the molecular formula C8H16F3NOS and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide
PubChem CID138544531
Molecular FormulaC8H16F3NOS
Molecular Weight231.28 g/mol
Exact Mass231.09
IUPAC Name2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide
SMILESC[C@@H](CC(F)(F)F)NS(=O)C(C)(C)C
InChIInChI=1S/C8H16F3NOS/c1-6(5-8(9,10)11)12-14(13)7(2,3)4/h6,12H,5H2,1-4H3/t6-,14?/m0/s1
InChIKeyIDRUPGRMJQWFTD-TZKMECQKSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide (CID 138544531) is 2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide is C[C@@H](CC(F)(F)F)NS(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide?
The InChIKey is IDRUPGRMJQWFTD-TZKMECQKSA-N. The full InChI is InChI=1S/C8H16F3NOS/c1-6(5-8(9,10)11)12-14(13)7(2,3)4/h6,12H,5H2,1-4H3/t6-,14?/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide?
2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide has a molecular weight of 231.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 138544531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).