N-(acetamidomethylsulfanyloxymethyl)acetamide

C6H12N2O3S — CID 20750799

IUPACN-(acetamidomethylsulfanyloxymethyl)acetamide
SMILESCC(=O)NCOSCNC(C)=O
InChIInChI=1S/C6H12N2O3S/c1-5(9)7-3-11-12-4-8-6(2)10/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyMXGVAHBSLKECDQ-UHFFFAOYSA-N
MW192.24 g/mol
LogP-0.16
Rot. Bonds5

About N-(acetamidomethylsulfanyloxymethyl)acetamide

N-(acetamidomethylsulfanyloxymethyl)acetamide (PubChem CID 20750799) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is N-(acetamidomethylsulfanyloxymethyl)acetamide.

Molecular Properties

Compound NameN-(acetamidomethylsulfanyloxymethyl)acetamide
PubChem CID20750799
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC NameN-(acetamidomethylsulfanyloxymethyl)acetamide
SMILESCC(=O)NCOSCNC(C)=O
InChIInChI=1S/C6H12N2O3S/c1-5(9)7-3-11-12-4-8-6(2)10/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyMXGVAHBSLKECDQ-UHFFFAOYSA-N
XLogP-0.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(acetamidomethylsulfanyloxymethyl)acetamide?
The IUPAC name of N-(acetamidomethylsulfanyloxymethyl)acetamide (CID 20750799) is N-(acetamidomethylsulfanyloxymethyl)acetamide.
What is the SMILES notation for N-(acetamidomethylsulfanyloxymethyl)acetamide?
The canonical SMILES for N-(acetamidomethylsulfanyloxymethyl)acetamide is CC(=O)NCOSCNC(C)=O.
What is the InChIKey of N-(acetamidomethylsulfanyloxymethyl)acetamide?
The InChIKey is MXGVAHBSLKECDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-5(9)7-3-11-12-4-8-6(2)10/h3-4H2,1-2H3,(H,7,9)(H,8,10).
What are the key properties of N-(acetamidomethylsulfanyloxymethyl)acetamide?
N-(acetamidomethylsulfanyloxymethyl)acetamide has a molecular weight of 192.24 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(acetamidomethylsulfanyloxymethyl)acetamide is sourced from PubChem (CID 20750799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).