2-(2-aminobutylsulfanyl)-N-(3-methoxypropyl)propanamide

C11H24N2O2S — CID 66228707

IUPAC2-(2-aminobutylsulfanyl)-N-(3-methoxypropyl)propanamide
SMILESCCC(N)CSC(C)C(=O)NCCCOC
InChIInChI=1S/C11H24N2O2S/c1-4-10(12)8-16-9(2)11(14)13-6-5-7-15-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyRYRVVIVORWNIQD-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.00
Rot. Bonds9

About 2-(2-aminobutylsulfanyl)-N-(3-methoxypropyl)propanamide

2-(2-aminobutylsulfanyl)-N-(3-methoxypropyl)propanamide (PubChem CID 66228707) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-(2-aminobutylsulfanyl)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(2-aminobutylsulfanyl)-N-(3-methoxypropyl)propanamide
PubChem CID66228707
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name2-(2-aminobutylsulfanyl)-N-(3-methoxypropyl)propanamide
SMILESCCC(N)CSC(C)C(=O)NCCCOC
InChIInChI=1S/C11H24N2O2S/c1-4-10(12)8-16-9(2)11(14)13-6-5-7-15-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyRYRVVIVORWNIQD-UHFFFAOYSA-N
XLogP1.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.00
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutylsulfanyl)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(2-aminobutylsulfanyl)-N-(3-methoxypropyl)propanamide (CID 66228707) is 2-(2-aminobutylsulfanyl)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(2-aminobutylsulfanyl)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(2-aminobutylsulfanyl)-N-(3-methoxypropyl)propanamide is CCC(N)CSC(C)C(=O)NCCCOC.
What is the InChIKey of 2-(2-aminobutylsulfanyl)-N-(3-methoxypropyl)propanamide?
The InChIKey is RYRVVIVORWNIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-10(12)8-16-9(2)11(14)13-6-5-7-15-3/h9-10H,4-8,12H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-aminobutylsulfanyl)-N-(3-methoxypropyl)propanamide?
2-(2-aminobutylsulfanyl)-N-(3-methoxypropyl)propanamide has a molecular weight of 248.39 g/mol, XLogP of 1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutylsulfanyl)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 66228707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).