2-(2,2-dimethylpropylamino)ethanesulfonamide

C7H18N2O2S — CID 61326165

IUPAC2-(2,2-dimethylpropylamino)ethanesulfonamide
SMILESCC(C)(C)CNCCS(N)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-7(2,3)6-9-4-5-12(8,10)11/h9H,4-6H2,1-3H3,(H2,8,10,11)
InChIKeyRYKGASPXBKSOHG-UHFFFAOYSA-N
MW194.30 g/mol
LogP-0.09
Rot. Bonds4

About 2-(2,2-dimethylpropylamino)ethanesulfonamide

2-(2,2-dimethylpropylamino)ethanesulfonamide (PubChem CID 61326165) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropylamino)ethanesulfonamide
PubChem CID61326165
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC Name2-(2,2-dimethylpropylamino)ethanesulfonamide
SMILESCC(C)(C)CNCCS(N)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-7(2,3)6-9-4-5-12(8,10)11/h9H,4-6H2,1-3H3,(H2,8,10,11)
InChIKeyRYKGASPXBKSOHG-UHFFFAOYSA-N
XLogP-0.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-dimethylpropylamino)-N,N-diethylethanesulfonamide
CID 115616941
3-(3,3-dimethylbutylamino)propane-1-sulfonamide
CID 62950960
N'-(2,2-dimethylpropyl)ethane-1,2-diamine
CID 61168060
2-(2-methylsulfinylethylamino)ethanesulfonamide
CID 114385199
2-(2-oxopropylamino)ethanesulfonamide
CID 157109351
2-(pentylamino)ethanesulfonamide
CID 43551719
2-[(4-tert-butylphenyl)methylamino]ethanesulfonamide
CID 43552018
4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid
CID 114385391
2,2-dimethyl-N-propylpropan-1-amine
CID 551573
2-(2-ethoxyethylamino)ethanesulfonamide
CID 114384811
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine
CID 95177772
2-[(4-hydroxy-2-methylbutan-2-yl)amino]ethanesulfonamide
CID 114385306

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylamino)ethanesulfonamide?
The IUPAC name of 2-(2,2-dimethylpropylamino)ethanesulfonamide (CID 61326165) is 2-(2,2-dimethylpropylamino)ethanesulfonamide.
What is the SMILES notation for 2-(2,2-dimethylpropylamino)ethanesulfonamide?
The canonical SMILES for 2-(2,2-dimethylpropylamino)ethanesulfonamide is CC(C)(C)CNCCS(N)(=O)=O.
What is the InChIKey of 2-(2,2-dimethylpropylamino)ethanesulfonamide?
The InChIKey is RYKGASPXBKSOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-7(2,3)6-9-4-5-12(8,10)11/h9H,4-6H2,1-3H3,(H2,8,10,11).
What are the key properties of 2-(2,2-dimethylpropylamino)ethanesulfonamide?
2-(2,2-dimethylpropylamino)ethanesulfonamide has a molecular weight of 194.30 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylamino)ethanesulfonamide is sourced from PubChem (CID 61326165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).