N-(2-methylpropyl)-2-methylsulfanylacetamide

C7H15NOS — CID 11073730

IUPACN-(2-methylpropyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC(C)C
InChIInChI=1S/C7H15NOS/c1-6(2)4-8-7(9)5-10-3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyWIVSLKNLIDJPJC-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.12
Rot. Bonds4

About N-(2-methylpropyl)-2-methylsulfanylacetamide

N-(2-methylpropyl)-2-methylsulfanylacetamide (PubChem CID 11073730) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-methylsulfanylacetamide
PubChem CID11073730
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC NameN-(2-methylpropyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC(C)C
InChIInChI=1S/C7H15NOS/c1-6(2)4-8-7(9)5-10-3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyWIVSLKNLIDJPJC-UHFFFAOYSA-N
XLogP1.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(2-methylpropyl)-2-methylsulfanylacetamide (CID 11073730) is N-(2-methylpropyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(2-methylpropyl)-2-methylsulfanylacetamide is CSCC(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-methylsulfanylacetamide?
The InChIKey is WIVSLKNLIDJPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-6(2)4-8-7(9)5-10-3/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of N-(2-methylpropyl)-2-methylsulfanylacetamide?
N-(2-methylpropyl)-2-methylsulfanylacetamide has a molecular weight of 161.27 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 11073730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).