1-phenyl-N,N-bis(prop-2-enyl)methanesulfonamide

C13H17NO2S — CID 669264

IUPAC1-phenyl-N,N-bis(prop-2-enyl)methanesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H17NO2S/c1-3-10-14(11-4-2)17(15,16)12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2
InChIKeyGHBINRVPUVAGJJ-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.19
Rot. Bonds7

About 1-phenyl-N,N-bis(prop-2-enyl)methanesulfonamide

1-phenyl-N,N-bis(prop-2-enyl)methanesulfonamide (PubChem CID 669264) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-phenyl-N,N-bis(prop-2-enyl)methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N,N-bis(prop-2-enyl)methanesulfonamide
PubChem CID669264
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name1-phenyl-N,N-bis(prop-2-enyl)methanesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H17NO2S/c1-3-10-14(11-4-2)17(15,16)12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2
InChIKeyGHBINRVPUVAGJJ-UHFFFAOYSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N,N-bis(prop-2-enyl)methanesulfonamide?
The IUPAC name of 1-phenyl-N,N-bis(prop-2-enyl)methanesulfonamide (CID 669264) is 1-phenyl-N,N-bis(prop-2-enyl)methanesulfonamide.
What is the SMILES notation for 1-phenyl-N,N-bis(prop-2-enyl)methanesulfonamide?
The canonical SMILES for 1-phenyl-N,N-bis(prop-2-enyl)methanesulfonamide is C=CCN(CC=C)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 1-phenyl-N,N-bis(prop-2-enyl)methanesulfonamide?
The InChIKey is GHBINRVPUVAGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-3-10-14(11-4-2)17(15,16)12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2.
What are the key properties of 1-phenyl-N,N-bis(prop-2-enyl)methanesulfonamide?
1-phenyl-N,N-bis(prop-2-enyl)methanesulfonamide has a molecular weight of 251.35 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N,N-bis(prop-2-enyl)methanesulfonamide is sourced from PubChem (CID 669264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).