2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide

C14H21NO2S2 — CID 95984125

IUPAC2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
SMILESCSC[C@@](C)(O)CNC(=O)CSCc1ccccc1
InChIInChI=1S/C14H21NO2S2/c1-14(17,11-18-2)10-15-13(16)9-19-8-12-6-4-3-5-7-12/h3-7,17H,8-11H2,1-2H3,(H,15,16)/t14-/m0/s1
InChIKeyDOMYUHSZBCXVSQ-AWEZNQCLSA-N
MW299.46 g/mol
LogP2.15
Rot. Bonds8

About 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide

2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide (PubChem CID 95984125) has the molecular formula C14H21NO2S2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
PubChem CID95984125
Molecular FormulaC14H21NO2S2
Molecular Weight299.46 g/mol
Exact Mass299.10
IUPAC Name2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
SMILESCSC[C@@](C)(O)CNC(=O)CSCc1ccccc1
InChIInChI=1S/C14H21NO2S2/c1-14(17,11-18-2)10-15-13(16)9-19-8-12-6-4-3-5-7-12/h3-7,17H,8-11H2,1-2H3,(H,15,16)/t14-/m0/s1
InChIKeyDOMYUHSZBCXVSQ-AWEZNQCLSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide with MolForge

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Related Compounds

2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65112666
2-benzylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78760684
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
3-hydroxy-3-methyl-4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 66001920
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamoyl]benzoic acid
CID 106244371
3-hydroxy-3-methyl-4-[[2-(2-phenylethylsulfanyl)acetyl]amino]butanoic acid
CID 66001112
benzyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 103835599
2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109835
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide
CID 111436003
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide
CID 90523165
2-benzylsulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide
CID 71787591
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822579

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide (CID 95984125) is 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide is CSC[C@@](C)(O)CNC(=O)CSCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide?
The InChIKey is DOMYUHSZBCXVSQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21NO2S2/c1-14(17,11-18-2)10-15-13(16)9-19-8-12-6-4-3-5-7-12/h3-7,17H,8-11H2,1-2H3,(H,15,16)/t14-/m0/s1.
What are the key properties of 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide?
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide has a molecular weight of 299.46 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide is sourced from PubChem (CID 95984125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).