1,1,1-trifluoro-N-(2-methoxypropyl)methanesulfonamide

C5H10F3NO3S — CID 58419559

IUPAC1,1,1-trifluoro-N-(2-methoxypropyl)methanesulfonamide
SMILESCOC(C)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO3S/c1-4(12-2)3-9-13(10,11)5(6,7)8/h4,9H,3H2,1-2H3
InChIKeyQOIJSLRLMOXCTO-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.46
Rot. Bonds4

About 1,1,1-trifluoro-N-(2-methoxypropyl)methanesulfonamide

1,1,1-trifluoro-N-(2-methoxypropyl)methanesulfonamide (PubChem CID 58419559) has the molecular formula C5H10F3NO3S and a molecular weight of 221.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-methoxypropyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-methoxypropyl)methanesulfonamide
PubChem CID58419559
Molecular FormulaC5H10F3NO3S
Molecular Weight221.20 g/mol
Exact Mass221.03
IUPAC Name1,1,1-trifluoro-N-(2-methoxypropyl)methanesulfonamide
SMILESCOC(C)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO3S/c1-4(12-2)3-9-13(10,11)5(6,7)8/h4,9H,3H2,1-2H3
InChIKeyQOIJSLRLMOXCTO-UHFFFAOYSA-N
XLogP0.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

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CID 15859447
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CID 20571257
CID 20571257
CID 87444120
CID 87444120
CID 87729367
CID 87729367
CID 117860227
CID 117860227
CID 121481068
CID 121481068
CID 121481173
CID 121481173
CID 129294898
CID 129294898
CID 141412875
CID 141412875

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-methoxypropyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-methoxypropyl)methanesulfonamide (CID 58419559) is 1,1,1-trifluoro-N-(2-methoxypropyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-methoxypropyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-methoxypropyl)methanesulfonamide is COC(C)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-methoxypropyl)methanesulfonamide?
The InChIKey is QOIJSLRLMOXCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO3S/c1-4(12-2)3-9-13(10,11)5(6,7)8/h4,9H,3H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-(2-methoxypropyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-methoxypropyl)methanesulfonamide has a molecular weight of 221.20 g/mol, XLogP of 0.46, 4 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-(2-methoxypropyl)methanesulfonamide is sourced from PubChem (CID 58419559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).