N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-ylsulfanylacetamide

C10H21NO2S — CID 79380480

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C10H21NO2S/c1-8(2)14-6-9(12)11(5)7-10(3,4)13/h8,13H,6-7H2,1-5H3
InChIKeyXYOKSYGOBYVAND-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.36
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-ylsulfanylacetamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-ylsulfanylacetamide (PubChem CID 79380480) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-ylsulfanylacetamide
PubChem CID79380480
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C10H21NO2S/c1-8(2)14-6-9(12)11(5)7-10(3,4)13/h8,13H,6-7H2,1-5H3
InChIKeyXYOKSYGOBYVAND-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-ylsulfanylacetamide (CID 79380480) is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-ylsulfanylacetamide is CC(C)SCC(=O)N(C)CC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-ylsulfanylacetamide?
The InChIKey is XYOKSYGOBYVAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(2)14-6-9(12)11(5)7-10(3,4)13/h8,13H,6-7H2,1-5H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-ylsulfanylacetamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-ylsulfanylacetamide has a molecular weight of 219.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 79380480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).