2-[2-(dimethylamino)ethylsulfanyl]acetamide

C6H14N2OS — CID 45088714

IUPAC2-[2-(dimethylamino)ethylsulfanyl]acetamide
SMILESCN(C)CCSCC(N)=O
InChIInChI=1S/C6H14N2OS/c1-8(2)3-4-10-5-6(7)9/h3-5H2,1-2H3,(H2,7,9)
InChIKeyKGDLHZCGSUGQTQ-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.23
Rot. Bonds5

About 2-[2-(dimethylamino)ethylsulfanyl]acetamide

2-[2-(dimethylamino)ethylsulfanyl]acetamide (PubChem CID 45088714) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanyl]acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanyl]acetamide
PubChem CID45088714
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name2-[2-(dimethylamino)ethylsulfanyl]acetamide
SMILESCN(C)CCSCC(N)=O
InChIInChI=1S/C6H14N2OS/c1-8(2)3-4-10-5-6(7)9/h3-5H2,1-2H3,(H2,7,9)
InChIKeyKGDLHZCGSUGQTQ-UHFFFAOYSA-N
XLogP-0.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]acetamide (CID 45088714) is 2-[2-(dimethylamino)ethylsulfanyl]acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanyl]acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanyl]acetamide is CN(C)CCSCC(N)=O.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanyl]acetamide?
The InChIKey is KGDLHZCGSUGQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-8(2)3-4-10-5-6(7)9/h3-5H2,1-2H3,(H2,7,9).
What are the key properties of 2-[2-(dimethylamino)ethylsulfanyl]acetamide?
2-[2-(dimethylamino)ethylsulfanyl]acetamide has a molecular weight of 162.26 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylsulfanyl]acetamide is sourced from PubChem (CID 45088714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).