1,1,1-trifluoro-N-(3-methoxypropyl)methanesulfonamide

C5H10F3NO3S — CID 15859447

IUPAC1,1,1-trifluoro-N-(3-methoxypropyl)methanesulfonamide
SMILESCOCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO3S/c1-12-4-2-3-9-13(10,11)5(6,7)8/h9H,2-4H2,1H3
InChIKeyXNWRFHQUXUCLCP-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.46
Rot. Bonds5

About 1,1,1-trifluoro-N-(3-methoxypropyl)methanesulfonamide

1,1,1-trifluoro-N-(3-methoxypropyl)methanesulfonamide (PubChem CID 15859447) has the molecular formula C5H10F3NO3S and a molecular weight of 221.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(3-methoxypropyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(3-methoxypropyl)methanesulfonamide
PubChem CID15859447
Molecular FormulaC5H10F3NO3S
Molecular Weight221.20 g/mol
Exact Mass221.03
IUPAC Name1,1,1-trifluoro-N-(3-methoxypropyl)methanesulfonamide
SMILESCOCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO3S/c1-12-4-2-3-9-13(10,11)5(6,7)8/h9H,2-4H2,1H3
InChIKeyXNWRFHQUXUCLCP-UHFFFAOYSA-N
XLogP0.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 50.46
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

1,1,2,2,3,3,4,4,4-Nonafluoro-N-(2-methoxyethyl)-1-butanesulfonamide
CID 85816085
1,1,1-trifluoro-N-(1-propoxypropyl)methanesulfonamide
CID 101579228
1,1,1-trifluoro-N-[(1R)-1-methoxyethyl]methanesulfonamide
CID 135029494
1,1,1-trifluoro-N-(1-methoxybutan-2-yl)methanesulfonamide
CID 166446329
1,1,1-Trifluoro-N-(2-methoxyethyl)methanesulfonamide
CID 20571257
1,1,1-trifluoro-N-(3-hydroxypropyl)methanesulfonamide
CID 23175136
1,1,1-trifluoro-N-(2-methoxypropyl)methanesulfonamide
CID 58419559
N-[2-(trifluoromethoxy)ethyl]methanesulfonamide
CID 87444120
N-(3-Methoxypropyl)trifluoromethylsulfonylamineanion
CID 101206161
1,1,1-trifluoro-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 117860227
3-Aminopropyl trifluoromethanesulfonate
CID 129180621
2-Methoxyethylazanium;trifluoromethanesulfonate
CID 141412875

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(3-methoxypropyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(3-methoxypropyl)methanesulfonamide (CID 15859447) is 1,1,1-trifluoro-N-(3-methoxypropyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(3-methoxypropyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(3-methoxypropyl)methanesulfonamide is COCCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(3-methoxypropyl)methanesulfonamide?
The InChIKey is XNWRFHQUXUCLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO3S/c1-12-4-2-3-9-13(10,11)5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-(3-methoxypropyl)methanesulfonamide?
1,1,1-trifluoro-N-(3-methoxypropyl)methanesulfonamide has a molecular weight of 221.20 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(3-methoxypropyl)methanesulfonamide is sourced from PubChem (CID 15859447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).