2-[methyl(oxan-3-yl)amino]ethanethioamide

C8H16N2OS — CID 107134690

IUPAC2-[methyl(oxan-3-yl)amino]ethanethioamide
SMILESCN(CC(N)=S)C1CCCOC1
InChIInChI=1S/C8H16N2OS/c1-10(5-8(9)12)7-3-2-4-11-6-7/h7H,2-6H2,1H3,(H2,9,12)
InChIKeySUUNGAZWNQJURY-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.38
Rot. Bonds3

About 2-[methyl(oxan-3-yl)amino]ethanethioamide

2-[methyl(oxan-3-yl)amino]ethanethioamide (PubChem CID 107134690) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 2-[methyl(oxan-3-yl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[methyl(oxan-3-yl)amino]ethanethioamide
PubChem CID107134690
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name2-[methyl(oxan-3-yl)amino]ethanethioamide
SMILESCN(CC(N)=S)C1CCCOC1
InChIInChI=1S/C8H16N2OS/c1-10(5-8(9)12)7-3-2-4-11-6-7/h7H,2-6H2,1H3,(H2,9,12)
InChIKeySUUNGAZWNQJURY-UHFFFAOYSA-N
XLogP0.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.38
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-[methyl(oxan-3-yl)amino]propanimidamide
CID 107134910
3-[ethyl(oxan-3-yl)amino]propanethioamide
CID 107134685
5-[methyl(oxan-3-yl)amino]pentan-1-ol
CID 107204072
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82737626
3-[N-(oxan-3-yl)anilino]propanethioamide
CID 107134682
N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide
CID 63014350
2,2-difluoro-N'-methyl-N'-(oxan-3-yl)propane-1,3-diamine
CID 165462577
3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide
CID 82738625
4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol
CID 104985620
2-[cyclopentyl(ethyl)amino]ethanethioamide
CID 43541169
(3R)-oxane-3-carbothioamide
CID 96581763
3-[methyl(oxolan-3-yl)amino]butanethioamide
CID 63557973

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-3-yl)amino]ethanethioamide?
The IUPAC name of 2-[methyl(oxan-3-yl)amino]ethanethioamide (CID 107134690) is 2-[methyl(oxan-3-yl)amino]ethanethioamide.
What is the SMILES notation for 2-[methyl(oxan-3-yl)amino]ethanethioamide?
The canonical SMILES for 2-[methyl(oxan-3-yl)amino]ethanethioamide is CN(CC(N)=S)C1CCCOC1.
What is the InChIKey of 2-[methyl(oxan-3-yl)amino]ethanethioamide?
The InChIKey is SUUNGAZWNQJURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-10(5-8(9)12)7-3-2-4-11-6-7/h7H,2-6H2,1H3,(H2,9,12).
What are the key properties of 2-[methyl(oxan-3-yl)amino]ethanethioamide?
2-[methyl(oxan-3-yl)amino]ethanethioamide has a molecular weight of 188.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-3-yl)amino]ethanethioamide is sourced from PubChem (CID 107134690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).