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

C13H18N2O2S — CID 62021085

IUPAC1-(2-aminophenyl)-N,N-bis(prop-2-enyl)methanesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C13H18N2O2S/c1-3-9-15(10-4-2)18(16,17)11-12-7-5-6-8-13(12)14/h3-8H,1-2,9-11,14H2
InChIKeyLEOLHYDJYROXDP-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.77
Rot. Bonds7

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

1-(2-aminophenyl)-N,N-bis(prop-2-enyl)methanesulfonamide (PubChem CID 62021085) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N,N-bis(prop-2-enyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N,N-bis(prop-2-enyl)methanesulfonamide
PubChem CID62021085
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-(2-aminophenyl)-N,N-bis(prop-2-enyl)methanesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C13H18N2O2S/c1-3-9-15(10-4-2)18(16,17)11-12-7-5-6-8-13(12)14/h3-8H,1-2,9-11,14H2
InChIKeyLEOLHYDJYROXDP-UHFFFAOYSA-N
XLogP1.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide
CID 62020523
1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
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1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
CID 79381244
2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide
CID 62020901
2-prop-2-enylaniline
CID 3036592
CID 87855006
CID 87855006
2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide
CID 62020888
1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
CID 62022053
1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
CID 62022626
1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide
CID 62020148
4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid
CID 43362563
1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide
CID 62020358

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N,N-bis(prop-2-enyl)methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N,N-bis(prop-2-enyl)methanesulfonamide (CID 62021085) is 1-(2-aminophenyl)-N,N-bis(prop-2-enyl)methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N,N-bis(prop-2-enyl)methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N,N-bis(prop-2-enyl)methanesulfonamide is C=CCN(CC=C)S(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-N,N-bis(prop-2-enyl)methanesulfonamide?
The InChIKey is LEOLHYDJYROXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-9-15(10-4-2)18(16,17)11-12-7-5-6-8-13(12)14/h3-8H,1-2,9-11,14H2.
What are the key properties of 1-(2-aminophenyl)-N,N-bis(prop-2-enyl)methanesulfonamide?
1-(2-aminophenyl)-N,N-bis(prop-2-enyl)methanesulfonamide has a molecular weight of 266.37 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N,N-bis(prop-2-enyl)methanesulfonamide is sourced from PubChem (CID 62021085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).