N-[2-(dimethylamino)ethyl]ethanethioamide

C6H14N2S — CID 90077083

IUPACN-[2-(dimethylamino)ethyl]ethanethioamide
SMILESCC(=S)NCCN(C)C
InChIInChI=1S/C6H14N2S/c1-6(9)7-4-5-8(2)3/h4-5H2,1-3H3,(H,7,9)
InChIKeyDFXGXDMXYZNDEU-UHFFFAOYSA-N
MW146.26 g/mol
LogP0.48
Rot. Bonds3

About N-[2-(dimethylamino)ethyl]ethanethioamide

N-[2-(dimethylamino)ethyl]ethanethioamide (PubChem CID 90077083) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]ethanethioamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]ethanethioamide
PubChem CID90077083
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC NameN-[2-(dimethylamino)ethyl]ethanethioamide
SMILESCC(=S)NCCN(C)C
InChIInChI=1S/C6H14N2S/c1-6(9)7-4-5-8(2)3/h4-5H2,1-3H3,(H,7,9)
InChIKeyDFXGXDMXYZNDEU-UHFFFAOYSA-N
XLogP0.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]ethanethioamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]ethanethioamide (CID 90077083) is N-[2-(dimethylamino)ethyl]ethanethioamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]ethanethioamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]ethanethioamide is CC(=S)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]ethanethioamide?
The InChIKey is DFXGXDMXYZNDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-6(9)7-4-5-8(2)3/h4-5H2,1-3H3,(H,7,9).
What are the key properties of N-[2-(dimethylamino)ethyl]ethanethioamide?
N-[2-(dimethylamino)ethyl]ethanethioamide has a molecular weight of 146.26 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]ethanethioamide is sourced from PubChem (CID 90077083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).