N-(2-tert-butylsulfonylethyl)-2-(diethylamino)acetamide

C12H26N2O3S — CID 56789563

IUPACN-(2-tert-butylsulfonylethyl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)NCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H26N2O3S/c1-6-14(7-2)10-11(15)13-8-9-18(16,17)12(3,4)5/h6-10H2,1-5H3,(H,13,15)
InChIKeyIVYKRSOHCCUIPH-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.66
Rot. Bonds7

About N-(2-tert-butylsulfonylethyl)-2-(diethylamino)acetamide

N-(2-tert-butylsulfonylethyl)-2-(diethylamino)acetamide (PubChem CID 56789563) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(2-tert-butylsulfonylethyl)-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfonylethyl)-2-(diethylamino)acetamide
PubChem CID56789563
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-(2-tert-butylsulfonylethyl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)NCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H26N2O3S/c1-6-14(7-2)10-11(15)13-8-9-18(16,17)12(3,4)5/h6-10H2,1-5H3,(H,13,15)
InChIKeyIVYKRSOHCCUIPH-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

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfonylethyl)-2-(diethylamino)acetamide?
The IUPAC name of N-(2-tert-butylsulfonylethyl)-2-(diethylamino)acetamide (CID 56789563) is N-(2-tert-butylsulfonylethyl)-2-(diethylamino)acetamide.
What is the SMILES notation for N-(2-tert-butylsulfonylethyl)-2-(diethylamino)acetamide?
The canonical SMILES for N-(2-tert-butylsulfonylethyl)-2-(diethylamino)acetamide is CCN(CC)CC(=O)NCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(2-tert-butylsulfonylethyl)-2-(diethylamino)acetamide?
The InChIKey is IVYKRSOHCCUIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-6-14(7-2)10-11(15)13-8-9-18(16,17)12(3,4)5/h6-10H2,1-5H3,(H,13,15).
What are the key properties of N-(2-tert-butylsulfonylethyl)-2-(diethylamino)acetamide?
N-(2-tert-butylsulfonylethyl)-2-(diethylamino)acetamide 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 N-(2-tert-butylsulfonylethyl)-2-(diethylamino)acetamide is sourced from PubChem (CID 56789563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).