N-(2-methoxyethyl)-2-(methylamino)ethanethioamide

C6H14N2OS — CID 143672636

IUPACN-(2-methoxyethyl)-2-(methylamino)ethanethioamide
SMILESCNCC(=S)NCCOC
InChIInChI=1S/C6H14N2OS/c1-7-5-6(10)8-3-4-9-2/h7H,3-5H2,1-2H3,(H,8,10)
InChIKeyYEUDSYLBJPDGIU-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.23
Rot. Bonds5

About N-(2-methoxyethyl)-2-(methylamino)ethanethioamide

N-(2-methoxyethyl)-2-(methylamino)ethanethioamide (PubChem CID 143672636) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(methylamino)ethanethioamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(methylamino)ethanethioamide
PubChem CID143672636
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC NameN-(2-methoxyethyl)-2-(methylamino)ethanethioamide
SMILESCNCC(=S)NCCOC
InChIInChI=1S/C6H14N2OS/c1-7-5-6(10)8-3-4-9-2/h7H,3-5H2,1-2H3,(H,8,10)
InChIKeyYEUDSYLBJPDGIU-UHFFFAOYSA-N
XLogP-0.23
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Oxamide, N,N'-bis(2-methoxyethyl)dithio-
CID 3032813
N-(2-methoxyethyl)ethanethioamide
CID 20696570
N-(2-methoxyethyl)methanethioamide
CID 54545348
2-methoxy-N-methylethanethioamide
CID 57927472
N-(1-methoxypropan-2-yl)ethanethioamide
CID 89175126
N-[2-(2-aminoethylamino)ethoxy]ethanethioamide
CID 89615252
N-(2-methoxyethyl)butanethioamide
CID 91285076
N-(2-methoxyethyl)propanethioamide
CID 91406791
N-[2-(2-aminoethoxy)ethyl]ethanethioamide
CID 141706107
N-[2-(2-ethoxyethylamino)ethyl]ethanethioamide
CID 143306100
ethane;2-methoxy-N-methylethanethioamide
CID 144277860
O-[2-(ethylamino)ethyl] carbamothioate
CID 154182859

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(methylamino)ethanethioamide?
The IUPAC name of N-(2-methoxyethyl)-2-(methylamino)ethanethioamide (CID 143672636) is N-(2-methoxyethyl)-2-(methylamino)ethanethioamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(methylamino)ethanethioamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(methylamino)ethanethioamide is CNCC(=S)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-(methylamino)ethanethioamide?
The InChIKey is YEUDSYLBJPDGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-7-5-6(10)8-3-4-9-2/h7H,3-5H2,1-2H3,(H,8,10).
What are the key properties of N-(2-methoxyethyl)-2-(methylamino)ethanethioamide?
N-(2-methoxyethyl)-2-(methylamino)ethanethioamide has a molecular weight of 162.26 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(methylamino)ethanethioamide is sourced from PubChem (CID 143672636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).