N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide

C11H26N2O3S — CID 106357429

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C11H26N2O3S/c1-5-16-8-9-17(14,15)13-10(6-7-12)11(2,3)4/h10,13H,5-9,12H2,1-4H3
InChIKeyGDXWQOXKCZVWJG-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.71
Rot. Bonds8

About N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide

N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide (PubChem CID 106357429) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide
PubChem CID106357429
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C11H26N2O3S/c1-5-16-8-9-17(14,15)13-10(6-7-12)11(2,3)4/h10,13H,5-9,12H2,1-4H3
InChIKeyGDXWQOXKCZVWJG-UHFFFAOYSA-N
XLogP0.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide
CID 63246035
N-butan-2-yl-2-ethoxyethanesulfonamide
CID 62732367
N-(4-bromobutan-2-yl)-2-ethoxyethanesulfonamide
CID 83179051
N-(1-bromo-3-methylbutan-2-yl)-2-ethoxyethanesulfonamide
CID 114294798
N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide
CID 65031065
N-(1-amino-4,4-dimethylpentan-3-yl)-1-cyclohexylmethanesulfonamide
CID 106357475
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide
CID 106356510
2-(2-ethoxyethylsulfonylamino)-3-methylbutanoic acid
CID 63245503
N-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide
CID 106357397
ethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate
CID 113317141
2-(2-ethoxyethylsulfonyl)ethanamine
CID 58684809
N-(1-amino-4,4-dimethylpentan-3-yl)-2-methylbenzenesulfonamide
CID 106357503

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide (CID 106357429) is N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)NC(CCN)C(C)(C)C.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide?
The InChIKey is GDXWQOXKCZVWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-5-16-8-9-17(14,15)13-10(6-7-12)11(2,3)4/h10,13H,5-9,12H2,1-4H3.
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethoxyethanesulfonamide is sourced from PubChem (CID 106357429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).