1,1,1-trifluoro-N-pent-4-enylmethanesulfonamide

C6H10F3NO2S — CID 11096044

IUPAC1,1,1-trifluoro-N-pent-4-enylmethanesulfonamide
SMILESC=CCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c1-2-3-4-5-10-13(11,12)6(7,8)9/h2,10H,1,3-5H2
InChIKeyXJBXGUHEEGPESF-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.39
Rot. Bonds5

About 1,1,1-trifluoro-N-pent-4-enylmethanesulfonamide

1,1,1-trifluoro-N-pent-4-enylmethanesulfonamide (PubChem CID 11096044) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-pent-4-enylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-pent-4-enylmethanesulfonamide
PubChem CID11096044
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name1,1,1-trifluoro-N-pent-4-enylmethanesulfonamide
SMILESC=CCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c1-2-3-4-5-10-13(11,12)6(7,8)9/h2,10H,1,3-5H2
InChIKeyXJBXGUHEEGPESF-UHFFFAOYSA-N
XLogP1.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trifluoro-N-(prop-2-en-1-yl)methanesulfonamide
CID 58819198
1,1,1-trifluoro-N-hexa-4,5-dienylmethanesulfonamide
CID 86204609
1,1,1-trifluoro-N-hepta-5,6-dienylmethanesulfonamide
CID 86204611
1,1,1-trifluoro-N-hexa-1,5-dien-3-ylmethanesulfonamide
CID 134875231
N-but-3-enyl-1,1,1-trifluoromethanesulfonamide
CID 116033626
N-(6,6-difluorohex-5-enyl)methanesulfonamide
CID 88246298
(But-3-enylamino) trifluoromethanesulfonate
CID 90071597
1,1,1-trifluoro-N-[(E)-pent-3-enyl]methanesulfonamide
CID 116033428
N-mesyl-4-pentenylamine
CID 15267597
1,1,1-trifluoro-N-(3-methylidenepent-4-enyl)methanesulfonamide
CID 11075184
N-(2,2,2-trifluoroethylsulfamoyl)but-3-en-1-amine
CID 114807265
N-but-3-enyl-1,1-difluoromethanesulfonamide
CID 116033660

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-pent-4-enylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-pent-4-enylmethanesulfonamide (CID 11096044) is 1,1,1-trifluoro-N-pent-4-enylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-pent-4-enylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-pent-4-enylmethanesulfonamide is C=CCCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-pent-4-enylmethanesulfonamide?
The InChIKey is XJBXGUHEEGPESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c1-2-3-4-5-10-13(11,12)6(7,8)9/h2,10H,1,3-5H2.
What are the key properties of 1,1,1-trifluoro-N-pent-4-enylmethanesulfonamide?
1,1,1-trifluoro-N-pent-4-enylmethanesulfonamide has a molecular weight of 217.21 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-pent-4-enylmethanesulfonamide is sourced from PubChem (CID 11096044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).