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

C14H24N2O3S — CID 106504018

IUPAC3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1c(C)c(C)cc(N)c1C
InChIInChI=1S/C14H24N2O3S/c1-5-6-16(7-8-17)20(18,19)14-11(3)10(2)9-13(15)12(14)4/h9,17H,5-8,15H2,1-4H3
InChIKeyFOODNJGGHAABSA-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.59
Rot. Bonds6

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

3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide (PubChem CID 106504018) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide
PubChem CID106504018
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1c(C)c(C)cc(N)c1C
InChIInChI=1S/C14H24N2O3S/c1-5-6-16(7-8-17)20(18,19)14-11(3)10(2)9-13(15)12(14)4/h9,17H,5-8,15H2,1-4H3
InChIKeyFOODNJGGHAABSA-UHFFFAOYSA-N
XLogP1.59
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide
CID 106505409
N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide
CID 61425521
6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide
CID 54880006
4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61111098
2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61111099
3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide
CID 43268301
N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide
CID 61448329
3-amino-N,2,5,6-tetramethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 106505023
5-amino-3-fluoro-N-(2-hydroxyethyl)-2-methyl-N-propylbenzenesulfonamide
CID 79897254
5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide
CID 28551352
ethyl 2-[(3-amino-2,5,6-trimethylphenyl)sulfonyl-methylamino]acetate
CID 106504662
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 65020659

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide (CID 106504018) is 3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide is CCCN(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-propylbenzenesulfonamide?
The InChIKey is FOODNJGGHAABSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-6-16(7-8-17)20(18,19)14-11(3)10(2)9-13(15)12(14)4/h9,17H,5-8,15H2,1-4H3.
What are the key properties of 3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide?
3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.59, 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-propylbenzenesulfonamide is sourced from PubChem (CID 106504018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).