N-(3-tert-butylsulfanylpropyl)-2-methoxyacetamide

C10H21NO2S — CID 151012070

IUPACN-(3-tert-butylsulfanylpropyl)-2-methoxyacetamide
SMILESCOCC(=O)NCCCSC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-10(2,3)14-7-5-6-11-9(12)8-13-4/h5-8H2,1-4H3,(H,11,12)
InChIKeyLWHOWFNPRBHMAQ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.67
Rot. Bonds6

About N-(3-tert-butylsulfanylpropyl)-2-methoxyacetamide

N-(3-tert-butylsulfanylpropyl)-2-methoxyacetamide (PubChem CID 151012070) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(3-tert-butylsulfanylpropyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3-tert-butylsulfanylpropyl)-2-methoxyacetamide
PubChem CID151012070
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(3-tert-butylsulfanylpropyl)-2-methoxyacetamide
SMILESCOCC(=O)NCCCSC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-10(2,3)14-7-5-6-11-9(12)8-13-4/h5-8H2,1-4H3,(H,11,12)
InChIKeyLWHOWFNPRBHMAQ-UHFFFAOYSA-N
XLogP1.67
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 ≤ 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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Related Compounds

2-cyclopentylsulfanyl-N-(2-methoxyethyl)acetamide
CID 52141582
2-ethoxy-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)acetamide
CID 71787169
2-ethoxy-N-(2-hydroxy-2-methyl-4-(methylthio)butyl)acetamide
CID 71787259
N-{[(R)-3-methoxytetrahydro-3-thienyl]methyl}ethoxyacetamide
CID 97414551
1,10-Dioxa-4-thia-7,13-diazacyclopentadecane-3,6,14-trione
CID 559433
2-methoxy-N-(2-methylsulfanylethyl)acetamide
CID 19026860
(2R)-2-methoxy-N-(2-methylpropyl)-4-methylsulfanylbutanamide
CID 57751222
2-ethoxy-N-(1-ethylsulfanyl-3-oxobutan-2-yl)acetamide
CID 59467874
N-(2-methoxyethyl)-4-methylsulfanylbutanamide
CID 84325264
S-3-(2-methoxyethylamino)-3-oxopropyl ethanethioate
CID 86709233
2-(3-methylbutoxy)-N-(3-methylsulfanylpropyl)propanamide
CID 87666099
2-methyl-N-(3-methylsulfanylpropyl)-2-propoxybutanamide
CID 87666948

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylsulfanylpropyl)-2-methoxyacetamide?
The IUPAC name of N-(3-tert-butylsulfanylpropyl)-2-methoxyacetamide (CID 151012070) is N-(3-tert-butylsulfanylpropyl)-2-methoxyacetamide.
What is the SMILES notation for N-(3-tert-butylsulfanylpropyl)-2-methoxyacetamide?
The canonical SMILES for N-(3-tert-butylsulfanylpropyl)-2-methoxyacetamide is COCC(=O)NCCCSC(C)(C)C.
What is the InChIKey of N-(3-tert-butylsulfanylpropyl)-2-methoxyacetamide?
The InChIKey is LWHOWFNPRBHMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2,3)14-7-5-6-11-9(12)8-13-4/h5-8H2,1-4H3,(H,11,12).
What are the key properties of N-(3-tert-butylsulfanylpropyl)-2-methoxyacetamide?
N-(3-tert-butylsulfanylpropyl)-2-methoxyacetamide has a molecular weight of 219.35 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylsulfanylpropyl)-2-methoxyacetamide is sourced from PubChem (CID 151012070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).