N-methyl-2-(3-methylbutylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide

C10H18F3NO3S — CID 78883664

IUPACN-methyl-2-(3-methylbutylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CCS(=O)(=O)CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C10H18F3NO3S/c1-8(2)4-5-18(16,17)6-9(15)14(3)7-10(11,12)13/h8H,4-7H2,1-3H3
InChIKeyJEHIJLGBONRBBE-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.47
Rot. Bonds6

About N-methyl-2-(3-methylbutylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide

N-methyl-2-(3-methylbutylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78883664) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-methyl-2-(3-methylbutylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methylbutylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78883664
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC NameN-methyl-2-(3-methylbutylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CCS(=O)(=O)CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C10H18F3NO3S/c1-8(2)4-5-18(16,17)6-9(15)14(3)7-10(11,12)13/h8H,4-7H2,1-3H3
InChIKeyJEHIJLGBONRBBE-UHFFFAOYSA-N
XLogP1.47
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
CID 56826276
2-cyclopentylsulfonyl-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 72043031
N-ethyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78865471
N-methyl-2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78873508
N-(2-methylpropyl)-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78882883
N-(2-methylpropyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78882937
2-cyclopentylsulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78883490
N-ethyl-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78883663
3-cyclopentylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78883745
N-butyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
CID 78883754
N-butyl-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78883989
N-butyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78883992

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylbutylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-(3-methylbutylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 78883664) is N-methyl-2-(3-methylbutylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-(3-methylbutylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-(3-methylbutylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CCS(=O)(=O)CC(=O)N(C)CC(F)(F)F.
What is the InChIKey of N-methyl-2-(3-methylbutylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JEHIJLGBONRBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-8(2)4-5-18(16,17)6-9(15)14(3)7-10(11,12)13/h8H,4-7H2,1-3H3.
What are the key properties of N-methyl-2-(3-methylbutylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-(3-methylbutylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 289.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylbutylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78883664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).