3-[ethyl(oxan-3-yl)amino]propanethioamide

C10H20N2OS — CID 107134685

IUPAC3-[ethyl(oxan-3-yl)amino]propanethioamide
SMILESCCN(CCC(N)=S)C1CCCOC1
InChIInChI=1S/C10H20N2OS/c1-2-12(6-5-10(11)14)9-4-3-7-13-8-9/h9H,2-8H2,1H3,(H2,11,14)
InChIKeyWIRKASSOAWDXOZ-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.16
Rot. Bonds5

About 3-[ethyl(oxan-3-yl)amino]propanethioamide

3-[ethyl(oxan-3-yl)amino]propanethioamide (PubChem CID 107134685) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-[ethyl(oxan-3-yl)amino]propanethioamide.

Molecular Properties

Compound Name3-[ethyl(oxan-3-yl)amino]propanethioamide
PubChem CID107134685
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name3-[ethyl(oxan-3-yl)amino]propanethioamide
SMILESCCN(CCC(N)=S)C1CCCOC1
InChIInChI=1S/C10H20N2OS/c1-2-12(6-5-10(11)14)9-4-3-7-13-8-9/h9H,2-8H2,1H3,(H2,11,14)
InChIKeyWIRKASSOAWDXOZ-UHFFFAOYSA-N
XLogP1.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(oxan-3-yl)amino]propanoic acid
CID 65062378
2-[methyl(oxan-3-yl)amino]ethanethioamide
CID 107134690
3-[ethyl-(4-ethylcyclohexyl)amino]propanethioamide
CID 64750245
ethyl 2-[ethyl(oxan-3-yl)amino]acetate
CID 103892716
3-[N-(oxan-3-yl)anilino]propanethioamide
CID 107134682
2-[cyclopentyl(ethyl)amino]ethanethioamide
CID 43541169
N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine
CID 106603663
N-[(E)-but-2-enyl]-N-propyloxan-3-amine
CID 143294392
3-[cyclopropyl(2-methylbutyl)amino]propanethioamide
CID 62104556
3-[cyclopropyl(oxan-4-ylmethyl)amino]propanethioamide
CID 62387321
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82737626
N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide
CID 63014350

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(oxan-3-yl)amino]propanethioamide?
The IUPAC name of 3-[ethyl(oxan-3-yl)amino]propanethioamide (CID 107134685) is 3-[ethyl(oxan-3-yl)amino]propanethioamide.
What is the SMILES notation for 3-[ethyl(oxan-3-yl)amino]propanethioamide?
The canonical SMILES for 3-[ethyl(oxan-3-yl)amino]propanethioamide is CCN(CCC(N)=S)C1CCCOC1.
What is the InChIKey of 3-[ethyl(oxan-3-yl)amino]propanethioamide?
The InChIKey is WIRKASSOAWDXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-2-12(6-5-10(11)14)9-4-3-7-13-8-9/h9H,2-8H2,1H3,(H2,11,14).
What are the key properties of 3-[ethyl(oxan-3-yl)amino]propanethioamide?
3-[ethyl(oxan-3-yl)amino]propanethioamide has a molecular weight of 216.35 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxan-3-yl)amino]propanethioamide is sourced from PubChem (CID 107134685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).