3-(ethylamino)-N-ethylsulfonylpropanamide

C7H16N2O3S — CID 103306787

IUPAC3-(ethylamino)-N-ethylsulfonylpropanamide
SMILESCCNCCC(=O)NS(=O)(=O)CC
InChIInChI=1S/C7H16N2O3S/c1-3-8-6-5-7(10)9-13(11,12)4-2/h8H,3-6H2,1-2H3,(H,9,10)
InChIKeyICGVIXMUMFTAPY-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.55
Rot. Bonds6

About 3-(ethylamino)-N-ethylsulfonylpropanamide

3-(ethylamino)-N-ethylsulfonylpropanamide (PubChem CID 103306787) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-(ethylamino)-N-ethylsulfonylpropanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-ethylsulfonylpropanamide
PubChem CID103306787
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name3-(ethylamino)-N-ethylsulfonylpropanamide
SMILESCCNCCC(=O)NS(=O)(=O)CC
InChIInChI=1S/C7H16N2O3S/c1-3-8-6-5-7(10)9-13(11,12)4-2/h8H,3-6H2,1-2H3,(H,9,10)
InChIKeyICGVIXMUMFTAPY-UHFFFAOYSA-N
XLogP-0.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(ethylamino)-N-ethylsulfonylpropanamide 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

5-amino-N-ethylsulfonyl-4-methylpentanamide
CID 103306873
N-ethylsulfonyl-2-(2-methoxyethylamino)acetamide
CID 103306916
3-(ethylamino)propanoic acid;hydrochloride
CID 86759576
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide
CID 112674083
3-(ethylamino)-N-ethylsulfonylbutanamide
CID 103307032
4-[3-(ethylamino)propanoylamino]butanoic acid
CID 62835343
ethane;3-(ethylamino)propanamide
CID 156743022
2-(ethylamino)-N-hydroxyethanesulfonamide
CID 138681118
3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide
CID 62834981
2-[3-(ethylamino)propanoylamino]-4-methylsulfonylbutanoic acid
CID 55121147
N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide
CID 62831395

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-ethylsulfonylpropanamide?
The IUPAC name of 3-(ethylamino)-N-ethylsulfonylpropanamide (CID 103306787) is 3-(ethylamino)-N-ethylsulfonylpropanamide.
What is the SMILES notation for 3-(ethylamino)-N-ethylsulfonylpropanamide?
The canonical SMILES for 3-(ethylamino)-N-ethylsulfonylpropanamide is CCNCCC(=O)NS(=O)(=O)CC.
What is the InChIKey of 3-(ethylamino)-N-ethylsulfonylpropanamide?
The InChIKey is ICGVIXMUMFTAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-3-8-6-5-7(10)9-13(11,12)4-2/h8H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 3-(ethylamino)-N-ethylsulfonylpropanamide?
3-(ethylamino)-N-ethylsulfonylpropanamide has a molecular weight of 208.28 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-ethylsulfonylpropanamide is sourced from PubChem (CID 103306787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).