N-[(1R)-1-phenylethyl]-2-sulfanylacetamide

C10H13NOS — CID 130013972

IUPACN-[(1R)-1-phenylethyl]-2-sulfanylacetamide
SMILESC[C@@H](NC(=O)CS)c1ccccc1
InChIInChI=1S/C10H13NOS/c1-8(11-10(12)7-13)9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyDLXHZNJMHZQLRT-MRVPVSSYSA-N
MW195.29 g/mol
LogP1.79
Rot. Bonds3

About N-[(1R)-1-phenylethyl]-2-sulfanylacetamide

N-[(1R)-1-phenylethyl]-2-sulfanylacetamide (PubChem CID 130013972) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-2-sulfanylacetamide
PubChem CID130013972
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC NameN-[(1R)-1-phenylethyl]-2-sulfanylacetamide
SMILESC[C@@H](NC(=O)CS)c1ccccc1
InChIInChI=1S/C10H13NOS/c1-8(11-10(12)7-13)9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyDLXHZNJMHZQLRT-MRVPVSSYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
2-cyano-N-[(1R)-1-phenylethyl]acetamide
CID 2164179

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-2-sulfanylacetamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-2-sulfanylacetamide (CID 130013972) is N-[(1R)-1-phenylethyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-2-sulfanylacetamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-2-sulfanylacetamide is C[C@@H](NC(=O)CS)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-2-sulfanylacetamide?
The InChIKey is DLXHZNJMHZQLRT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-8(11-10(12)7-13)9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H,11,12)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-2-sulfanylacetamide?
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide has a molecular weight of 195.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-2-sulfanylacetamide is sourced from PubChem (CID 130013972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).