2-[3-(ethylamino)pentan-2-ylsulfinyl]-N-propylacetamide

C12H26N2O2S — CID 114232693

IUPAC2-[3-(ethylamino)pentan-2-ylsulfinyl]-N-propylacetamide
SMILESCCCNC(=O)CS(=O)C(C)C(CC)NCC
InChIInChI=1S/C12H26N2O2S/c1-5-8-14-12(15)9-17(16)10(4)11(6-2)13-7-3/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyXXLASMAIHFMCGH-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.04
Rot. Bonds9

About 2-[3-(ethylamino)pentan-2-ylsulfinyl]-N-propylacetamide

2-[3-(ethylamino)pentan-2-ylsulfinyl]-N-propylacetamide (PubChem CID 114232693) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-[3-(ethylamino)pentan-2-ylsulfinyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(ethylamino)pentan-2-ylsulfinyl]-N-propylacetamide
PubChem CID114232693
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name2-[3-(ethylamino)pentan-2-ylsulfinyl]-N-propylacetamide
SMILESCCCNC(=O)CS(=O)C(C)C(CC)NCC
InChIInChI=1S/C12H26N2O2S/c1-5-8-14-12(15)9-17(16)10(4)11(6-2)13-7-3/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyXXLASMAIHFMCGH-UHFFFAOYSA-N
XLogP1.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-pentylsulfinyl-N-propylpentan-3-amine
CID 107758770
2-tert-butylsulfinyl-N-ethylpentan-3-amine
CID 64652351
2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide
CID 81201708
2-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine
CID 64659149
2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid
CID 123367492
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide
CID 79250505
2-(3-methylbutan-2-ylamino)-N-propylacetamide
CID 43086366
2-iodo-N-propylpropanamide
CID 64787589
3,4-dimethyl-N-propylpentanamide
CID 89425193
2-(2-aminoethylsulfinyl)-N-propylpropanamide
CID 81175883
N-butyl-3-(ethylamino)butanamide
CID 62838234
(4R)-4-amino-N-propylpentanamide
CID 146234117

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)pentan-2-ylsulfinyl]-N-propylacetamide?
The IUPAC name of 2-[3-(ethylamino)pentan-2-ylsulfinyl]-N-propylacetamide (CID 114232693) is 2-[3-(ethylamino)pentan-2-ylsulfinyl]-N-propylacetamide.
What is the SMILES notation for 2-[3-(ethylamino)pentan-2-ylsulfinyl]-N-propylacetamide?
The canonical SMILES for 2-[3-(ethylamino)pentan-2-ylsulfinyl]-N-propylacetamide is CCCNC(=O)CS(=O)C(C)C(CC)NCC.
What is the InChIKey of 2-[3-(ethylamino)pentan-2-ylsulfinyl]-N-propylacetamide?
The InChIKey is XXLASMAIHFMCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-5-8-14-12(15)9-17(16)10(4)11(6-2)13-7-3/h10-11,13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2-[3-(ethylamino)pentan-2-ylsulfinyl]-N-propylacetamide?
2-[3-(ethylamino)pentan-2-ylsulfinyl]-N-propylacetamide has a molecular weight of 262.42 g/mol, XLogP of 1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)pentan-2-ylsulfinyl]-N-propylacetamide is sourced from PubChem (CID 114232693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).