4-[ethyl(2-hydroxyethyl)amino]butanethioamide

C8H18N2OS — CID 60980371

IUPAC4-[ethyl(2-hydroxyethyl)amino]butanethioamide
SMILESCCN(CCO)CCCC(N)=S
InChIInChI=1S/C8H18N2OS/c1-2-10(6-7-11)5-3-4-8(9)12/h11H,2-7H2,1H3,(H2,9,12)
InChIKeyVMSJWTWATZRPLH-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.37
Rot. Bonds7

About 4-[ethyl(2-hydroxyethyl)amino]butanethioamide

4-[ethyl(2-hydroxyethyl)amino]butanethioamide (PubChem CID 60980371) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 4-[ethyl(2-hydroxyethyl)amino]butanethioamide.

Molecular Properties

Compound Name4-[ethyl(2-hydroxyethyl)amino]butanethioamide
PubChem CID60980371
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name4-[ethyl(2-hydroxyethyl)amino]butanethioamide
SMILESCCN(CCO)CCCC(N)=S
InChIInChI=1S/C8H18N2OS/c1-2-10(6-7-11)5-3-4-8(9)12/h11H,2-7H2,1H3,(H2,9,12)
InChIKeyVMSJWTWATZRPLH-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 4-[ethyl(2-hydroxyethyl)amino]butanethioamide?
The IUPAC name of 4-[ethyl(2-hydroxyethyl)amino]butanethioamide (CID 60980371) is 4-[ethyl(2-hydroxyethyl)amino]butanethioamide.
What is the SMILES notation for 4-[ethyl(2-hydroxyethyl)amino]butanethioamide?
The canonical SMILES for 4-[ethyl(2-hydroxyethyl)amino]butanethioamide is CCN(CCO)CCCC(N)=S.
What is the InChIKey of 4-[ethyl(2-hydroxyethyl)amino]butanethioamide?
The InChIKey is VMSJWTWATZRPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-2-10(6-7-11)5-3-4-8(9)12/h11H,2-7H2,1H3,(H2,9,12).
What are the key properties of 4-[ethyl(2-hydroxyethyl)amino]butanethioamide?
4-[ethyl(2-hydroxyethyl)amino]butanethioamide 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 4-[ethyl(2-hydroxyethyl)amino]butanethioamide is sourced from PubChem (CID 60980371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).