N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylacetamide

C8H17NO2S — CID 79252352

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C8H17NO2S/c1-6(2)7(4-10)9-8(11)5-12-3/h6-7,10H,4-5H2,1-3H3,(H,9,11)/t7-/m1/s1
InChIKeyKQXAMHWKHQZFSE-SSDOTTSWSA-N
MW191.30 g/mol
LogP0.48
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylacetamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylacetamide (PubChem CID 79252352) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylacetamide
PubChem CID79252352
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C8H17NO2S/c1-6(2)7(4-10)9-8(11)5-12-3/h6-7,10H,4-5H2,1-3H3,(H,9,11)/t7-/m1/s1
InChIKeyKQXAMHWKHQZFSE-SSDOTTSWSA-N
XLogP0.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylacetamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylacetamide (CID 79252352) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylacetamide is CSCC(=O)N[C@H](CO)C(C)C.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylacetamide?
The InChIKey is KQXAMHWKHQZFSE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-6(2)7(4-10)9-8(11)5-12-3/h6-7,10H,4-5H2,1-3H3,(H,9,11)/t7-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylacetamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylacetamide has a molecular weight of 191.30 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylacetamide is sourced from PubChem (CID 79252352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).