2-[2-oxopropyl(2-sulfanylethyl)amino]-N-propylacetamide

C10H20N2O2S — CID 20768518

IUPAC2-[2-oxopropyl(2-sulfanylethyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCS)CC(C)=O
InChIInChI=1S/C10H20N2O2S/c1-3-4-11-10(14)8-12(5-6-15)7-9(2)13/h15H,3-8H2,1-2H3,(H,11,14)
InChIKeyLQZDIOGAXPJFGG-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.33
Rot. Bonds8

About 2-[2-oxopropyl(2-sulfanylethyl)amino]-N-propylacetamide

2-[2-oxopropyl(2-sulfanylethyl)amino]-N-propylacetamide (PubChem CID 20768518) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-[2-oxopropyl(2-sulfanylethyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-oxopropyl(2-sulfanylethyl)amino]-N-propylacetamide
PubChem CID20768518
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-[2-oxopropyl(2-sulfanylethyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCS)CC(C)=O
InChIInChI=1S/C10H20N2O2S/c1-3-4-11-10(14)8-12(5-6-15)7-9(2)13/h15H,3-8H2,1-2H3,(H,11,14)
InChIKeyLQZDIOGAXPJFGG-UHFFFAOYSA-N
XLogP0.33
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide
CID 100944879
2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
CID 60686308
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244
2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide
CID 10047882
ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate
CID 60965392
2-[2-[2-[[2-(2-aminoethylamino)-2-oxoethyl]-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-[2-[carboxylatomethyl(2-oxopropyl)amino]ethyl]amino]acetate
CID 140731992
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-sulfanylethylamino)ethyl]amino]ethyl]amino]acetic acid
CID 146388911
2-[bis[2-[carboxymethyl-[2-oxo-2-(2-sulfanylethylamino)ethyl]amino]ethyl]amino]acetic acid
CID 5289611
2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl-[2-oxo-2-(propylamino)ethyl]amino]-N-ethylacetamide
CID 168986634
N-butyl-2-(dipropylamino)acetamide
CID 54817378
3-[butyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)propanamide
CID 58811044
3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid
CID 62852615

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxopropyl(2-sulfanylethyl)amino]-N-propylacetamide?
The IUPAC name of 2-[2-oxopropyl(2-sulfanylethyl)amino]-N-propylacetamide (CID 20768518) is 2-[2-oxopropyl(2-sulfanylethyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[2-oxopropyl(2-sulfanylethyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[2-oxopropyl(2-sulfanylethyl)amino]-N-propylacetamide is CCCNC(=O)CN(CCS)CC(C)=O.
What is the InChIKey of 2-[2-oxopropyl(2-sulfanylethyl)amino]-N-propylacetamide?
The InChIKey is LQZDIOGAXPJFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-3-4-11-10(14)8-12(5-6-15)7-9(2)13/h15H,3-8H2,1-2H3,(H,11,14).
What are the key properties of 2-[2-oxopropyl(2-sulfanylethyl)amino]-N-propylacetamide?
2-[2-oxopropyl(2-sulfanylethyl)amino]-N-propylacetamide has a molecular weight of 232.35 g/mol, XLogP of 0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxopropyl(2-sulfanylethyl)amino]-N-propylacetamide is sourced from PubChem (CID 20768518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).