2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide

C6H11F3N2O3S — CID 103637532

IUPAC2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide
SMILESCS(=O)(=O)NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O3S/c1-15(13,14)11-4-2-3-10-5(12)6(7,8)9/h11H,2-4H2,1H3,(H,10,12)
InChIKeyROQPDZWIQIYWBU-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.40
Rot. Bonds5

About 2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide

2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide (PubChem CID 103637532) has the molecular formula C6H11F3N2O3S and a molecular weight of 248.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide
PubChem CID103637532
Molecular FormulaC6H11F3N2O3S
Molecular Weight248.23 g/mol
Exact Mass248.04
IUPAC Name2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide
SMILESCS(=O)(=O)NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O3S/c1-15(13,14)11-4-2-3-10-5(12)6(7,8)9/h11H,2-4H2,1H3,(H,10,12)
InChIKeyROQPDZWIQIYWBU-UHFFFAOYSA-N
XLogP-0.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(methanesulfonamido)propyl]-2-methylpentanamide
CID 113266277
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62727869
2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide
CID 130627633
N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide
CID 106340083
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
3-(methanesulfonamido)propylthiourea
CID 106335651
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2-chloro-N-[3-(methanesulfonamido)propyl]propanamide
CID 103881559
2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide
CID 23401497
2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide
CID 113288255
2,2,2-trifluoro-N-(3-formamidopropyl)acetamide
CID 110461270
dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium
CID 172843562

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide (CID 103637532) is 2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide is CS(=O)(=O)NCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide?
The InChIKey is ROQPDZWIQIYWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O3S/c1-15(13,14)11-4-2-3-10-5(12)6(7,8)9/h11H,2-4H2,1H3,(H,10,12).
What are the key properties of 2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide?
2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide has a molecular weight of 248.23 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide is sourced from PubChem (CID 103637532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).