2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide

C12H26N2O3S — CID 106724307

IUPAC2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H26N2O3S/c1-6-14(7-2)11(15)10-13-8-9-18(16,17)12(3,4)5/h13H,6-10H2,1-5H3
InChIKeyYIAQSOLAXZBLLS-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.66
Rot. Bonds7

About 2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide

2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide (PubChem CID 106724307) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide
PubChem CID106724307
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H26N2O3S/c1-6-14(7-2)11(15)10-13-8-9-18(16,17)12(3,4)5/h13H,6-10H2,1-5H3
InChIKeyYIAQSOLAXZBLLS-UHFFFAOYSA-N
XLogP0.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide
CID 106723195
N,N-diethyl-2-(propylamino)acetamide
CID 15103931
2-(2-tert-butylsulfonylethylamino)-N-methylacetamide
CID 106723192
2-[[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
CID 56638226
N,N-diethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide
CID 79552369
2-(2,2-dimethylpropylamino)-N,N-diethylacetamide
CID 61167034
N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226531
2-(tert-butylamino)-N,N-diethylacetamide
CID 28586539
2-(2-tert-butylsulfonylethylamino)-N-cyclopropylacetamide
CID 113268578
N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide
CID 112695679
3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide
CID 106723535
2-[(2-ethoxy-2-methylpropyl)amino]-N,N-diethylacetamide
CID 114942112

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide?
The IUPAC name of 2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide (CID 106724307) is 2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide?
The canonical SMILES for 2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide is CCN(CC)C(=O)CNCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide?
The InChIKey is YIAQSOLAXZBLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-6-14(7-2)11(15)10-13-8-9-18(16,17)12(3,4)5/h13H,6-10H2,1-5H3.
What are the key properties of 2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide?
2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide has a molecular weight of 278.42 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide is sourced from PubChem (CID 106724307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).