N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide

C8H16N2O2S — CID 107025957

IUPACN-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide
SMILESCCNC(=O)CN(C)C(=O)CCS
InChIInChI=1S/C8H16N2O2S/c1-3-9-7(11)6-10(2)8(12)4-5-13/h13H,3-6H2,1-2H3,(H,9,11)
InChIKeyDZMNCFOGTHWVEP-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.10
Rot. Bonds5

About N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide

N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide (PubChem CID 107025957) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide
PubChem CID107025957
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide
SMILESCCNC(=O)CN(C)C(=O)CCS
InChIInChI=1S/C8H16N2O2S/c1-3-9-7(11)6-10(2)8(12)4-5-13/h13H,3-6H2,1-2H3,(H,9,11)
InChIKeyDZMNCFOGTHWVEP-UHFFFAOYSA-N
XLogP-0.10
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide 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

3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide
CID 60948700
N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide
CID 107022688
3-[[2-(ethylamino)-2-oxoethyl]-methylamino]-3-oxopropanoic acid
CID 62230429
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-2-(propylamino)acetamide
CID 55207779
2-amino-N-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide
CID 60963649
2-[[5-(ethylamino)-5-oxopentanoyl]-methylamino]acetic acid
CID 115729847
2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
CID 61327311
N-[2-(ethylamino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 61150518
2-[diethylcarbamoyl(methyl)amino]-N-ethylacetamide
CID 115618628
2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide
CID 60963182
3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428599
2-[[2-[acetyl(methyl)amino]acetyl]amino]-N-ethylacetamide
CID 143168643

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide (CID 107025957) is N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide is CCNC(=O)CN(C)C(=O)CCS.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide?
The InChIKey is DZMNCFOGTHWVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-3-9-7(11)6-10(2)8(12)4-5-13/h13H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide?
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide has a molecular weight of 204.29 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide is sourced from PubChem (CID 107025957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).