N-(2-butan-2-yloxyethyl)-3-methylsulfanylpropanamide

C10H21NO2S — CID 123735543

IUPACN-(2-butan-2-yloxyethyl)-3-methylsulfanylpropanamide
SMILESCCC(C)OCCNC(=O)CCSC
InChIInChI=1S/C10H21NO2S/c1-4-9(2)13-7-6-11-10(12)5-8-14-3/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyVOPXIZPWBLKBFE-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.67
Rot. Bonds8

About N-(2-butan-2-yloxyethyl)-3-methylsulfanylpropanamide

N-(2-butan-2-yloxyethyl)-3-methylsulfanylpropanamide (PubChem CID 123735543) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(2-butan-2-yloxyethyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-butan-2-yloxyethyl)-3-methylsulfanylpropanamide
PubChem CID123735543
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(2-butan-2-yloxyethyl)-3-methylsulfanylpropanamide
SMILESCCC(C)OCCNC(=O)CCSC
InChIInChI=1S/C10H21NO2S/c1-4-9(2)13-7-6-11-10(12)5-8-14-3/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyVOPXIZPWBLKBFE-UHFFFAOYSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(2-butan-2-yloxyethyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(2-butan-2-yloxyethyl)-3-methylsulfanylpropanamide (CID 123735543) is N-(2-butan-2-yloxyethyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(2-butan-2-yloxyethyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(2-butan-2-yloxyethyl)-3-methylsulfanylpropanamide is CCC(C)OCCNC(=O)CCSC.
What is the InChIKey of N-(2-butan-2-yloxyethyl)-3-methylsulfanylpropanamide?
The InChIKey is VOPXIZPWBLKBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-4-9(2)13-7-6-11-10(12)5-8-14-3/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-(2-butan-2-yloxyethyl)-3-methylsulfanylpropanamide?
N-(2-butan-2-yloxyethyl)-3-methylsulfanylpropanamide has a molecular weight of 219.35 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-yloxyethyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 123735543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).