6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide

C14H20N2O2S — CID 61112900

IUPAC6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C14H20N2O2S/c1-5-9-16(10-6-2)19(17,18)14-12(4)11(3)7-8-13(14)15/h5-8H,1-2,9-10,15H2,3-4H3
InChIKeyFTQMLYQNQFOYIH-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.25
Rot. Bonds6

About 6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide

6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide (PubChem CID 61112900) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide
PubChem CID61112900
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C14H20N2O2S/c1-5-9-16(10-6-2)19(17,18)14-12(4)11(3)7-8-13(14)15/h5-8H,1-2,9-10,15H2,3-4H3
InChIKeyFTQMLYQNQFOYIH-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.25
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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Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide?
The IUPAC name of 6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide (CID 61112900) is 6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide?
The canonical SMILES for 6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide is C=CCN(CC=C)S(=O)(=O)c1c(N)ccc(C)c1C.
What is the InChIKey of 6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide?
The InChIKey is FTQMLYQNQFOYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-5-9-16(10-6-2)19(17,18)14-12(4)11(3)7-8-13(14)15/h5-8H,1-2,9-10,15H2,3-4H3.
What are the key properties of 6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide?
6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 61112900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).