N-[2-(2-propylsulfonylethylamino)ethyl]acetamide

C9H20N2O3S — CID 106723232

IUPACN-[2-(2-propylsulfonylethylamino)ethyl]acetamide
SMILESCCCS(=O)(=O)CCNCCNC(C)=O
InChIInChI=1S/C9H20N2O3S/c1-3-7-15(13,14)8-6-10-4-5-11-9(2)12/h10H,3-8H2,1-2H3,(H,11,12)
InChIKeyKFVJREAVTKQRLZ-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.46
Rot. Bonds8

About N-[2-(2-propylsulfonylethylamino)ethyl]acetamide

N-[2-(2-propylsulfonylethylamino)ethyl]acetamide (PubChem CID 106723232) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[2-(2-propylsulfonylethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-propylsulfonylethylamino)ethyl]acetamide
PubChem CID106723232
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[2-(2-propylsulfonylethylamino)ethyl]acetamide
SMILESCCCS(=O)(=O)CCNCCNC(C)=O
InChIInChI=1S/C9H20N2O3S/c1-3-7-15(13,14)8-6-10-4-5-11-9(2)12/h10H,3-8H2,1-2H3,(H,11,12)
InChIKeyKFVJREAVTKQRLZ-UHFFFAOYSA-N
XLogP-0.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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'}

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Related Compounds

N-[2-(2-ethylsulfonylethylamino)ethyl]acetamide
CID 43807754
N-(2-propylsulfonylethyl)acetamide
CID 142065321
4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide
CID 106723308
N-[2-[2-[2-[2-(ethylamino)ethylamino]ethylamino]ethylamino]ethyl]acetamide
CID 88534902
N-(2-chloroethyl)-2-propylsulfonylethanamine
CID 106730959
methyl 2-(2-propylsulfonylethylamino)acetate
CID 106722896
ethyl 3-(2-propylsulfonylethylamino)propanoate
CID 106723560
2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine
CID 106723762
N-[2-(ethylamino)ethyl]acetamide;propane
CID 159314545
4-(2-acetamidoethylsulfonyl)butanamide
CID 90011139
1-propylsulfonylpropane
CID 11709
2-cyclopropyl-N-(2-propylsulfonylethyl)ethanamine
CID 106723908

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propylsulfonylethylamino)ethyl]acetamide?
The IUPAC name of N-[2-(2-propylsulfonylethylamino)ethyl]acetamide (CID 106723232) is N-[2-(2-propylsulfonylethylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-propylsulfonylethylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(2-propylsulfonylethylamino)ethyl]acetamide is CCCS(=O)(=O)CCNCCNC(C)=O.
What is the InChIKey of N-[2-(2-propylsulfonylethylamino)ethyl]acetamide?
The InChIKey is KFVJREAVTKQRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-3-7-15(13,14)8-6-10-4-5-11-9(2)12/h10H,3-8H2,1-2H3,(H,11,12).
What are the key properties of N-[2-(2-propylsulfonylethylamino)ethyl]acetamide?
N-[2-(2-propylsulfonylethylamino)ethyl]acetamide has a molecular weight of 236.34 g/mol, XLogP of -0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propylsulfonylethylamino)ethyl]acetamide is sourced from PubChem (CID 106723232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).