2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide

C14H24N2O3S — CID 103171665

IUPAC2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CCOC(C)C)c1N
InChIInChI=1S/C14H24N2O3S/c1-10(2)19-9-8-16(5)20(17,18)14-12(4)7-6-11(3)13(14)15/h6-7,10H,8-9,15H2,1-5H3
InChIKeyPRCNTMOTWNYTCP-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.93
Rot. Bonds6

About 2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide

2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide (PubChem CID 103171665) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
PubChem CID103171665
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CCOC(C)C)c1N
InChIInChI=1S/C14H24N2O3S/c1-10(2)19-9-8-16(5)20(17,18)14-12(4)7-6-11(3)13(14)15/h6-7,10H,8-9,15H2,1-5H3
InChIKeyPRCNTMOTWNYTCP-UHFFFAOYSA-N
XLogP1.93
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N,3,6-trimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 103171199
2-amino-3,6-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 103171233
2-amino-3,6-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 103171250
2-amino-N-(2-hydroxyethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 103171282
2-amino-N-ethyl-3,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 103171383
2-amino-3,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzenesulfonamide
CID 103171518
2-amino-N,3,6-trimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 103171593
2-amino-N-(2,2-difluoroethyl)-N,3,6-trimethylbenzenesulfonamide
CID 103171820
2-amino-3,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 105641674
2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3,6-dimethylbenzenesulfonamide
CID 105641882
2-amino-N-[2-(2,2-difluoroethoxy)ethyl]-3,6-dimethylbenzenesulfonamide
CID 105905471
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,6-dimethylbenzenesulfonamide
CID 107477982

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of 2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide (CID 103171665) is 2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(C)CCOC(C)C)c1N.
What is the InChIKey of 2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The InChIKey is PRCNTMOTWNYTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-10(2)19-9-8-16(5)20(17,18)14-12(4)7-6-11(3)13(14)15/h6-7,10H,8-9,15H2,1-5H3.
What are the key properties of 2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 103171665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).