N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide

C16H28N2O4S — CID 119991812

IUPACN-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide
SMILESCCOCCOc1ccc(S(=O)(=O)N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C16H28N2O4S/c1-5-21-10-11-22-14-6-8-15(9-7-14)23(19,20)18(4)13-16(2,3)12-17/h6-9H,5,10-13,17H2,1-4H3
InChIKeyLIHCCRSIGBSGPK-UHFFFAOYSA-N
MW344.48 g/mol
LogP1.71
Rot. Bonds10

About N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide

N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide (PubChem CID 119991812) has the molecular formula C16H28N2O4S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide
PubChem CID119991812
Molecular FormulaC16H28N2O4S
Molecular Weight344.48 g/mol
Exact Mass344.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide
SMILESCCOCCOc1ccc(S(=O)(=O)N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C16H28N2O4S/c1-5-21-10-11-22-14-6-8-15(9-7-14)23(19,20)18(4)13-16(2,3)12-17/h6-9H,5,10-13,17H2,1-4H3
InChIKeyLIHCCRSIGBSGPK-UHFFFAOYSA-N
XLogP1.71
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991423
N-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride
CID 119992308
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-propoxybenzenesulfonamide
CID 79386966
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-phenylbenzenesulfonamide;hydrochloride
CID 119991804
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide
CID 79652029
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119991586
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
CID 119991826
N-[3-(aminomethyl)pentan-3-yl]-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119981483
N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide
CID 115752573
4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid
CID 20595012
N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine
CID 79648025
2-[4-[2-ethoxyethyl(methyl)sulfamoyl]phenoxy]acetic acid
CID 81036384

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide (CID 119991812) is N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide is CCOCCOc1ccc(S(=O)(=O)N(C)CC(C)(C)CN)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide?
The InChIKey is LIHCCRSIGBSGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4S/c1-5-21-10-11-22-14-6-8-15(9-7-14)23(19,20)18(4)13-16(2,3)12-17/h6-9H,5,10-13,17H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 1.71, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 119991812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).