2-[tert-butyl(ethyl)amino]ethanethioamide

C8H18N2S — CID 39160372

IUPAC2-[tert-butyl(ethyl)amino]ethanethioamide
SMILESCCN(CC(N)=S)C(C)(C)C
InChIInChI=1S/C8H18N2S/c1-5-10(6-7(9)11)8(2,3)4/h5-6H2,1-4H3,(H2,9,11)
InChIKeyPIPTVPFVPXJVAN-UHFFFAOYSA-N
MW174.31 g/mol
LogP1.39
Rot. Bonds3

About 2-[tert-butyl(ethyl)amino]ethanethioamide

2-[tert-butyl(ethyl)amino]ethanethioamide (PubChem CID 39160372) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-[tert-butyl(ethyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[tert-butyl(ethyl)amino]ethanethioamide
PubChem CID39160372
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name2-[tert-butyl(ethyl)amino]ethanethioamide
SMILESCCN(CC(N)=S)C(C)(C)C
InChIInChI=1S/C8H18N2S/c1-5-10(6-7(9)11)8(2,3)4/h5-6H2,1-4H3,(H2,9,11)
InChIKeyPIPTVPFVPXJVAN-UHFFFAOYSA-N
XLogP1.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 51.39
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 2-[tert-butyl(ethyl)amino]ethanethioamide?
The IUPAC name of 2-[tert-butyl(ethyl)amino]ethanethioamide (CID 39160372) is 2-[tert-butyl(ethyl)amino]ethanethioamide.
What is the SMILES notation for 2-[tert-butyl(ethyl)amino]ethanethioamide?
The canonical SMILES for 2-[tert-butyl(ethyl)amino]ethanethioamide is CCN(CC(N)=S)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(ethyl)amino]ethanethioamide?
The InChIKey is PIPTVPFVPXJVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-5-10(6-7(9)11)8(2,3)4/h5-6H2,1-4H3,(H2,9,11).
What are the key properties of 2-[tert-butyl(ethyl)amino]ethanethioamide?
2-[tert-butyl(ethyl)amino]ethanethioamide has a molecular weight of 174.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(ethyl)amino]ethanethioamide is sourced from PubChem (CID 39160372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).