2-benzylsulfanyl-2-(methoxymethylsulfanyl)acetamide

C11H15NO2S2 — CID 121220787

IUPAC2-benzylsulfanyl-2-(methoxymethylsulfanyl)acetamide
SMILESCOCSC(SCc1ccccc1)C(N)=O
InChIInChI=1S/C11H15NO2S2/c1-14-8-16-11(10(12)13)15-7-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H2,12,13)
InChIKeyRCRHQSAWUHQYGR-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.07
Rot. Bonds7

About 2-benzylsulfanyl-2-(methoxymethylsulfanyl)acetamide

2-benzylsulfanyl-2-(methoxymethylsulfanyl)acetamide (PubChem CID 121220787) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-benzylsulfanyl-2-(methoxymethylsulfanyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-2-(methoxymethylsulfanyl)acetamide
PubChem CID121220787
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC Name2-benzylsulfanyl-2-(methoxymethylsulfanyl)acetamide
SMILESCOCSC(SCc1ccccc1)C(N)=O
InChIInChI=1S/C11H15NO2S2/c1-14-8-16-11(10(12)13)15-7-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H2,12,13)
InChIKeyRCRHQSAWUHQYGR-UHFFFAOYSA-N
XLogP2.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 15091648
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dimethyl (2S,3S)-2-benzylsulfanyl-3-(methoxycarbonylamino)butanedioate
CID 10688597
(benzyldisulfanyl)methylbenzene;carbamic acid
CID 159723781
acetic acid;benzylsulfanylmethylbenzene;guanidine
CID 174558174
methyl 2-benzylsulfanyl-2-(2-chlorophenyl)acetate
CID 101493270
1-benzylsulfanylethyl butanoate
CID 102387800
2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one
CID 43218535
(2R)-2-benzylsulfanylpropanehydrazide
CID 28840047
methyl 2-methyl-3-oxo-5-phenylpentanoate
CID 12583050
methyl (2S)-2-benzylsulfanyl-2-(4-methylanilino)acetate
CID 11301080
(3-benzylsulfanyl-4-hydroxybutyl) acetate
CID 134988307

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-2-(methoxymethylsulfanyl)acetamide?
The IUPAC name of 2-benzylsulfanyl-2-(methoxymethylsulfanyl)acetamide (CID 121220787) is 2-benzylsulfanyl-2-(methoxymethylsulfanyl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-2-(methoxymethylsulfanyl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-2-(methoxymethylsulfanyl)acetamide is COCSC(SCc1ccccc1)C(N)=O.
What is the InChIKey of 2-benzylsulfanyl-2-(methoxymethylsulfanyl)acetamide?
The InChIKey is RCRHQSAWUHQYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c1-14-8-16-11(10(12)13)15-7-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H2,12,13).
What are the key properties of 2-benzylsulfanyl-2-(methoxymethylsulfanyl)acetamide?
2-benzylsulfanyl-2-(methoxymethylsulfanyl)acetamide has a molecular weight of 257.38 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-2-(methoxymethylsulfanyl)acetamide is sourced from PubChem (CID 121220787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).