N,N-bis(2-methylpropyl)-2-(trifluoromethylsulfanyl)acetamide

C11H20F3NOS — CID 112822294

IUPACN,N-bis(2-methylpropyl)-2-(trifluoromethylsulfanyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CSC(F)(F)F
InChIInChI=1S/C11H20F3NOS/c1-8(2)5-15(6-9(3)4)10(16)7-17-11(12,13)14/h8-9H,5-7H2,1-4H3
InChIKeyHOHKVZYWJCACNG-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.38
Rot. Bonds6

About N,N-bis(2-methylpropyl)-2-(trifluoromethylsulfanyl)acetamide

N,N-bis(2-methylpropyl)-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 112822294) has the molecular formula C11H20F3NOS and a molecular weight of 271.35 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-(trifluoromethylsulfanyl)acetamide
PubChem CID112822294
Molecular FormulaC11H20F3NOS
Molecular Weight271.35 g/mol
Exact Mass271.12
IUPAC NameN,N-bis(2-methylpropyl)-2-(trifluoromethylsulfanyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CSC(F)(F)F
InChIInChI=1S/C11H20F3NOS/c1-8(2)5-15(6-9(3)4)10(16)7-17-11(12,13)14/h8-9H,5-7H2,1-4H3
InChIKeyHOHKVZYWJCACNG-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N,N-bis(2-methylpropyl)-2-(trifluoromethylsulfanyl)acetamide (CID 112822294) is N,N-bis(2-methylpropyl)-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-(trifluoromethylsulfanyl)acetamide is CC(C)CN(CC(C)C)C(=O)CSC(F)(F)F.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is HOHKVZYWJCACNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NOS/c1-8(2)5-15(6-9(3)4)10(16)7-17-11(12,13)14/h8-9H,5-7H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)-2-(trifluoromethylsulfanyl)acetamide?
N,N-bis(2-methylpropyl)-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 271.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 112822294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).