1,1,1-trifluoro-N-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide

C10H16F3NO2S — CID 163881456

IUPAC1,1,1-trifluoro-N-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide
SMILESC/C=C\C(C)(/C=C\C)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO2S/c1-4-6-9(3,7-5-2)8-14-17(15,16)10(11,12)13/h4-7,14H,8H2,1-3H3/b6-4-,7-5-
InChIKeyPTOCTQNAQSRWMG-PEPZGXQESA-N
MW271.30 g/mol
LogP2.58
Rot. Bonds5

About 1,1,1-trifluoro-N-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide

1,1,1-trifluoro-N-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide (PubChem CID 163881456) has the molecular formula C10H16F3NO2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide
PubChem CID163881456
Molecular FormulaC10H16F3NO2S
Molecular Weight271.30 g/mol
Exact Mass271.09
IUPAC Name1,1,1-trifluoro-N-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide
SMILESC/C=C\C(C)(/C=C\C)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO2S/c1-4-6-9(3,7-5-2)8-14-17(15,16)10(11,12)13/h4-7,14H,8H2,1-3H3/b6-4-,7-5-
InChIKeyPTOCTQNAQSRWMG-PEPZGXQESA-N
XLogP2.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-N-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,1-trifluoromethanesulfonamide
CID 71815919
1,1,1-trifluoro-N-[(E)-pent-3-enyl]methanesulfonamide
CID 116033428
1,1,1-trifluoro-N-[(Z)-3-tributylstannylpent-3-enyl]methanesulfonamide
CID 140736166
1,1,1-trifluoro-N-[(1-methylcyclohepta-2,6-dien-4-yn-1-yl)methyl]methanesulfonamide
CID 144491523
N-[(1,5-dimethylcycloocta-2,4,7-trien-1-yl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 148603549
1,1,1-trifluoro-N-[(1-methylcyclohepta-2,4,6-trien-1-yl)methyl]methanesulfonamide
CID 149323963
1,1,1-trifluoro-N-(3-tributylstannylpent-3-enyl)methanesulfonamide
CID 154070744
1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide
CID 115628751
4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide
CID 115967652
1,1,1-trifluoro-N-[(E)-3-triethylgermylpent-3-enyl]methanesulfonamide
CID 122366096
N-(2,2-dimethylpent-3-enyl)methanesulfonamide
CID 134568121

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide (CID 163881456) is 1,1,1-trifluoro-N-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide is C/C=C\C(C)(/C=C\C)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide?
The InChIKey is PTOCTQNAQSRWMG-PEPZGXQESA-N. The full InChI is InChI=1S/C10H16F3NO2S/c1-4-6-9(3,7-5-2)8-14-17(15,16)10(11,12)13/h4-7,14H,8H2,1-3H3/b6-4-,7-5-.
What are the key properties of 1,1,1-trifluoro-N-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide?
1,1,1-trifluoro-N-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide has a molecular weight of 271.30 g/mol, XLogP of 2.58, 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-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide is sourced from PubChem (CID 163881456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).