2-(2-tert-butylsulfonylethylamino)-N-methylacetamide

C9H20N2O3S — CID 106723192

IUPAC2-(2-tert-butylsulfonylethylamino)-N-methylacetamide
SMILESCNC(=O)CNCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H20N2O3S/c1-9(2,3)15(13,14)6-5-11-7-8(12)10-4/h11H,5-7H2,1-4H3,(H,10,12)
InChIKeyQXHFMGOSBQUYFX-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.46
Rot. Bonds5

About 2-(2-tert-butylsulfonylethylamino)-N-methylacetamide

2-(2-tert-butylsulfonylethylamino)-N-methylacetamide (PubChem CID 106723192) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(2-tert-butylsulfonylethylamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-tert-butylsulfonylethylamino)-N-methylacetamide
PubChem CID106723192
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name2-(2-tert-butylsulfonylethylamino)-N-methylacetamide
SMILESCNC(=O)CNCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H20N2O3S/c1-9(2,3)15(13,14)6-5-11-7-8(12)10-4/h11H,5-7H2,1-4H3,(H,10,12)
InChIKeyQXHFMGOSBQUYFX-UHFFFAOYSA-N
XLogP-0.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-tert-butylsulfonylethylamino)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-tert-butylsulfonylethylamino)-N-cyclopropylacetamide
CID 113268578
2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide
CID 106723195
2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide
CID 106724307
3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide
CID 106723535
N-methyl-2-(propylamino)acetamide
CID 28586328
2-tert-butylsulfonylethylcarbamic acid
CID 87536259
N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetamide
CID 112588757
N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide
CID 115356498
N-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butanamide
CID 63892682
N-(2-tert-butylsulfonylethyl)prop-2-en-1-amine
CID 103710245
1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106723490
2-(2-cyclopentylethylamino)-N-methylacetamide
CID 60919375

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfonylethylamino)-N-methylacetamide?
The IUPAC name of 2-(2-tert-butylsulfonylethylamino)-N-methylacetamide (CID 106723192) is 2-(2-tert-butylsulfonylethylamino)-N-methylacetamide.
What is the SMILES notation for 2-(2-tert-butylsulfonylethylamino)-N-methylacetamide?
The canonical SMILES for 2-(2-tert-butylsulfonylethylamino)-N-methylacetamide is CNC(=O)CNCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylsulfonylethylamino)-N-methylacetamide?
The InChIKey is QXHFMGOSBQUYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-9(2,3)15(13,14)6-5-11-7-8(12)10-4/h11H,5-7H2,1-4H3,(H,10,12).
What are the key properties of 2-(2-tert-butylsulfonylethylamino)-N-methylacetamide?
2-(2-tert-butylsulfonylethylamino)-N-methylacetamide has a molecular weight of 236.34 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfonylethylamino)-N-methylacetamide is sourced from PubChem (CID 106723192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).