3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide

C14H22N2O3S — CID 106505409

IUPAC3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CCO)S(=O)(=O)c1c(C)c(C)cc(N)c1C
InChIInChI=1S/C14H22N2O3S/c1-5-6-16(7-8-17)20(18,19)14-11(3)10(2)9-13(15)12(14)4/h5,9,17H,1,6-8,15H2,2-4H3
InChIKeyFZFKCZDBEANIEL-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.36
Rot. Bonds6

About 3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide

3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 106505409) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide
PubChem CID106505409
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CCO)S(=O)(=O)c1c(C)c(C)cc(N)c1C
InChIInChI=1S/C14H22N2O3S/c1-5-6-16(7-8-17)20(18,19)14-11(3)10(2)9-13(15)12(14)4/h5,9,17H,1,6-8,15H2,2-4H3
InChIKeyFZFKCZDBEANIEL-UHFFFAOYSA-N
XLogP1.36
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide
CID 106504018
2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 19682221
2-[prop-2-enyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetic acid
CID 78915809
6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 61112900
4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 115754612
6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide
CID 54880006
3-amino-N,2,5,6-tetramethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 106505023
2-fluoro-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylbenzenesulfonamide
CID 115754678
3-amino-N-(2-cyanoethyl)-N,2,5,6-tetramethylbenzenesulfonamide
CID 106503686
N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115622115
3-amino-4,5-dimethyl-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61116631
ethyl 2-[(3-amino-2,5,6-trimethylphenyl)sulfonyl-methylamino]acetate
CID 106504662

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide (CID 106505409) is 3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide is C=CCN(CCO)S(=O)(=O)c1c(C)c(C)cc(N)c1C.
What is the InChIKey of 3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is FZFKCZDBEANIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-6-16(7-8-17)20(18,19)14-11(3)10(2)9-13(15)12(14)4/h5,9,17H,1,6-8,15H2,2-4H3.
What are the key properties of 3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide?
3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 106505409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).