2-butylsulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide

C10H21NO2S — CID 82724054

IUPAC2-butylsulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCCCSCC(=O)NOC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-5-6-7-14-8-9(12)11-13-10(2,3)4/h5-8H2,1-4H3,(H,11,12)
InChIKeyCARUAPVWSOVVEU-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.37
Rot. Bonds6

About 2-butylsulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide

2-butylsulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 82724054) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-butylsulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID82724054
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-butylsulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCCCSCC(=O)NOC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-5-6-7-14-8-9(12)11-13-10(2,3)4/h5-8H2,1-4H3,(H,11,12)
InChIKeyCARUAPVWSOVVEU-UHFFFAOYSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-butylsulfanylacetyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261294
N-[(2-methylpropan-2-yl)oxy]-2-(propylamino)acetamide
CID 82723789
2-pentylsulfanylacetohydrazide
CID 107760927
2-butylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112781221
ethyl 4-[(2-butylsulfanylacetyl)amino]butanoate
CID 60625559
methyl 4-butylsulfanyl-3-oxobutanoate
CID 14002636
methyl 5-butylsulfanyl-2,2-dimethyl-4-oxopentanoate
CID 15035410
2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide
CID 114618404
(2S)-2-[(2-butylsulfanylacetyl)amino]propanoic acid
CID 61131561
2-chloro-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82720220
N-benzyl-2-butylsulfanylacetamide
CID 112781296
N-butyl-2-octylsulfanylacetamide
CID 4583267

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of 2-butylsulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide (CID 82724054) is 2-butylsulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for 2-butylsulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for 2-butylsulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide is CCCCSCC(=O)NOC(C)(C)C.
What is the InChIKey of 2-butylsulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is CARUAPVWSOVVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-6-7-14-8-9(12)11-13-10(2,3)4/h5-8H2,1-4H3,(H,11,12).
What are the key properties of 2-butylsulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide?
2-butylsulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 219.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 82724054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).