2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide

C9H18F3NOS — CID 166024441

IUPAC2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide
SMILESCC(C)C(NS(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3NOS/c1-6(2)7(9(10,11)12)13-15(14)8(3,4)5/h6-7,13H,1-5H3
InChIKeyZGJSCSJUQWWJDZ-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.63
Rot. Bonds3

About 2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide

2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide (PubChem CID 166024441) has the molecular formula C9H18F3NOS and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide
PubChem CID166024441
Molecular FormulaC9H18F3NOS
Molecular Weight245.31 g/mol
Exact Mass245.11
IUPAC Name2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide
SMILESCC(C)C(NS(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3NOS/c1-6(2)7(9(10,11)12)13-15(14)8(3,4)5/h6-7,13H,1-5H3
InChIKeyZGJSCSJUQWWJDZ-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide (CID 166024441) is 2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide is CC(C)C(NS(=O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide?
The InChIKey is ZGJSCSJUQWWJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NOS/c1-6(2)7(9(10,11)12)13-15(14)8(3,4)5/h6-7,13H,1-5H3.
What are the key properties of 2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide?
2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide has a molecular weight of 245.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide is sourced from PubChem (CID 166024441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).