N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide

C8H15F3N2O3S — CID 62727869

IUPACN-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide
SMILESCCN(CCCNC(=O)C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C8H15F3N2O3S/c1-3-13(17(2,15)16)6-4-5-12-7(14)8(9,10)11/h3-6H2,1-2H3,(H,12,14)
InChIKeyBBXUSXGINOPJMF-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.34
Rot. Bonds6

About N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide

N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide (PubChem CID 62727869) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide
PubChem CID62727869
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide
SMILESCCN(CCCNC(=O)C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C8H15F3N2O3S/c1-3-13(17(2,15)16)6-4-5-12-7(14)8(9,10)11/h3-6H2,1-2H3,(H,12,14)
InChIKeyBBXUSXGINOPJMF-UHFFFAOYSA-N
XLogP0.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide
CID 61150790
2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride
CID 119299946
tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate
CID 63788881
1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea
CID 47062460
2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide
CID 103637532
N-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide
CID 61013916
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405113
N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide
CID 65093412
3-[ethyl(methylsulfonyl)amino]propanoic acid
CID 39239435
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide
CID 115497535

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide (CID 62727869) is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide is CCN(CCCNC(=O)C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide?
The InChIKey is BBXUSXGINOPJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-3-13(17(2,15)16)6-4-5-12-7(14)8(9,10)11/h3-6H2,1-2H3,(H,12,14).
What are the key properties of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide?
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide has a molecular weight of 276.28 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62727869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).