N-(4-methyl-4-methylsulfanylpentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C13H27NO2S — CID 138580299

IUPACN-(4-methyl-4-methylsulfanylpentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCSC(C)(C)CCCNC(=O)COC(C)(C)C
InChIInChI=1S/C13H27NO2S/c1-12(2,3)16-10-11(15)14-9-7-8-13(4,5)17-6/h7-10H2,1-6H3,(H,14,15)
InChIKeyZJDDJWYPJZVHQK-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.84
Rot. Bonds7

About N-(4-methyl-4-methylsulfanylpentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(4-methyl-4-methylsulfanylpentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 138580299) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-(4-methyl-4-methylsulfanylpentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-methyl-4-methylsulfanylpentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID138580299
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-(4-methyl-4-methylsulfanylpentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCSC(C)(C)CCCNC(=O)COC(C)(C)C
InChIInChI=1S/C13H27NO2S/c1-12(2,3)16-10-11(15)14-9-7-8-13(4,5)17-6/h7-10H2,1-6H3,(H,14,15)
InChIKeyZJDDJWYPJZVHQK-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.84
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-(4-methyl-4-methylsulfanylpentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(4-methyl-4-methylsulfanylpentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 138580299) is N-(4-methyl-4-methylsulfanylpentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(4-methyl-4-methylsulfanylpentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(4-methyl-4-methylsulfanylpentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CSC(C)(C)CCCNC(=O)COC(C)(C)C.
What is the InChIKey of N-(4-methyl-4-methylsulfanylpentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is ZJDDJWYPJZVHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-12(2,3)16-10-11(15)14-9-7-8-13(4,5)17-6/h7-10H2,1-6H3,(H,14,15).
What are the key properties of N-(4-methyl-4-methylsulfanylpentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(4-methyl-4-methylsulfanylpentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 261.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-4-methylsulfanylpentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 138580299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).