2-[butyl(2-hydroxyethyl)amino]ethanethioamide

C8H18N2OS — CID 61448185

IUPAC2-[butyl(2-hydroxyethyl)amino]ethanethioamide
SMILESCCCCN(CCO)CC(N)=S
InChIInChI=1S/C8H18N2OS/c1-2-3-4-10(5-6-11)7-8(9)12/h11H,2-7H2,1H3,(H2,9,12)
InChIKeyXPDFMTHCVZAFJT-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.37
Rot. Bonds7

About 2-[butyl(2-hydroxyethyl)amino]ethanethioamide

2-[butyl(2-hydroxyethyl)amino]ethanethioamide (PubChem CID 61448185) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]ethanethioamide
PubChem CID61448185
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name2-[butyl(2-hydroxyethyl)amino]ethanethioamide
SMILESCCCCN(CCO)CC(N)=S
InChIInChI=1S/C8H18N2OS/c1-2-3-4-10(5-6-11)7-8(9)12/h11H,2-7H2,1H3,(H2,9,12)
InChIKeyXPDFMTHCVZAFJT-UHFFFAOYSA-N
XLogP0.37
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[butyl(2-hydroxyethyl)amino]ethanethioamide?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]ethanethioamide (CID 61448185) is 2-[butyl(2-hydroxyethyl)amino]ethanethioamide.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]ethanethioamide?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]ethanethioamide is CCCCN(CCO)CC(N)=S.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]ethanethioamide?
The InChIKey is XPDFMTHCVZAFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-2-3-4-10(5-6-11)7-8(9)12/h11H,2-7H2,1H3,(H2,9,12).
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]ethanethioamide?
2-[butyl(2-hydroxyethyl)amino]ethanethioamide has a molecular weight of 190.31 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)amino]ethanethioamide is sourced from PubChem (CID 61448185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).