N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide

C7H15NO2S — CID 65109943

IUPACN-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC(C)(C)O
InChIInChI=1S/C7H15NO2S/c1-7(2,10)5-8-6(9)4-11-3/h10H,4-5H2,1-3H3,(H,8,9)
InChIKeyTUYCQUOGCXOGRI-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.24
Rot. Bonds4

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

N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide (PubChem CID 65109943) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide
PubChem CID65109943
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC(C)(C)O
InChIInChI=1S/C7H15NO2S/c1-7(2,10)5-8-6(9)4-11-3/h10H,4-5H2,1-3H3,(H,8,9)
InChIKeyTUYCQUOGCXOGRI-UHFFFAOYSA-N
XLogP0.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-3-[(2-methylsulfanylacetyl)amino]propanoic acid
CID 66171975
2-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104570038
2-chloro-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65105534
2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65106281
N-(2-methyl-2-piperidin-1-ylpropyl)-2-methylsulfanylacetamide
CID 78785728
2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109835
N-(2-hydroxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 65110108
2-(cyclopropylmethylamino)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65107560
4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 79192407
2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109465
N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide
CID 65107193
2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide
CID 170359660

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide (CID 65109943) is N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide is CSCC(=O)NCC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide?
The InChIKey is TUYCQUOGCXOGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(2,10)5-8-6(9)4-11-3/h10H,4-5H2,1-3H3,(H,8,9).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide?
N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide has a molecular weight of 177.27 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 65109943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).