2-propan-2-ylsulfanyl-N-(1,1,1-trifluoropropan-2-yl)acetamide

C8H14F3NOS — CID 174332019

IUPAC2-propan-2-ylsulfanyl-N-(1,1,1-trifluoropropan-2-yl)acetamide
SMILESCC(C)SCC(=O)NC(C)C(F)(F)F
InChIInChI=1S/C8H14F3NOS/c1-5(2)14-4-7(13)12-6(3)8(9,10)11/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyGIKSDBNDPKNZOU-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.19
Rot. Bonds4

About 2-propan-2-ylsulfanyl-N-(1,1,1-trifluoropropan-2-yl)acetamide

2-propan-2-ylsulfanyl-N-(1,1,1-trifluoropropan-2-yl)acetamide (PubChem CID 174332019) has the molecular formula C8H14F3NOS and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-N-(1,1,1-trifluoropropan-2-yl)acetamide.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-N-(1,1,1-trifluoropropan-2-yl)acetamide
PubChem CID174332019
Molecular FormulaC8H14F3NOS
Molecular Weight229.27 g/mol
Exact Mass229.07
IUPAC Name2-propan-2-ylsulfanyl-N-(1,1,1-trifluoropropan-2-yl)acetamide
SMILESCC(C)SCC(=O)NC(C)C(F)(F)F
InChIInChI=1S/C8H14F3NOS/c1-5(2)14-4-7(13)12-6(3)8(9,10)11/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyGIKSDBNDPKNZOU-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-ylsulfanyl-N-(1,1,1-trifluoropropan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-N-(1,1,1-trifluoropropan-2-yl)acetamide?
The IUPAC name of 2-propan-2-ylsulfanyl-N-(1,1,1-trifluoropropan-2-yl)acetamide (CID 174332019) is 2-propan-2-ylsulfanyl-N-(1,1,1-trifluoropropan-2-yl)acetamide.
What is the SMILES notation for 2-propan-2-ylsulfanyl-N-(1,1,1-trifluoropropan-2-yl)acetamide?
The canonical SMILES for 2-propan-2-ylsulfanyl-N-(1,1,1-trifluoropropan-2-yl)acetamide is CC(C)SCC(=O)NC(C)C(F)(F)F.
What is the InChIKey of 2-propan-2-ylsulfanyl-N-(1,1,1-trifluoropropan-2-yl)acetamide?
The InChIKey is GIKSDBNDPKNZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NOS/c1-5(2)14-4-7(13)12-6(3)8(9,10)11/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-propan-2-ylsulfanyl-N-(1,1,1-trifluoropropan-2-yl)acetamide?
2-propan-2-ylsulfanyl-N-(1,1,1-trifluoropropan-2-yl)acetamide has a molecular weight of 229.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyl-N-(1,1,1-trifluoropropan-2-yl)acetamide is sourced from PubChem (CID 174332019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).