2-methoxyethyl N-methyl-N-propan-2-yl-N'-(thiophene-2-carbonyl)carbamimidate

C13H20N2O3S — CID 7410045

IUPAC2-methoxyethyl N-methyl-N-propan-2-yl-N'-(thiophene-2-carbonyl)carbamimidate
SMILESCOCCO/C(=N\C(=O)c1cccs1)N(C)C(C)C
InChIInChI=1S/C13H20N2O3S/c1-10(2)15(3)13(18-8-7-17-4)14-12(16)11-6-5-9-19-11/h5-6,9-10H,7-8H2,1-4H3/b14-13-
InChIKeyNPAGZESNRIJFOH-YPKPFQOOSA-N
MW284.38 g/mol
LogP2.25
Rot. Bonds5

About 2-methoxyethyl N-methyl-N-propan-2-yl-N'-(thiophene-2-carbonyl)carbamimidate

2-methoxyethyl N-methyl-N-propan-2-yl-N'-(thiophene-2-carbonyl)carbamimidate (PubChem CID 7410045) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methoxyethyl N-methyl-N-propan-2-yl-N'-(thiophene-2-carbonyl)carbamimidate.

Molecular Properties

Compound Name2-methoxyethyl N-methyl-N-propan-2-yl-N'-(thiophene-2-carbonyl)carbamimidate
PubChem CID7410045
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-methoxyethyl N-methyl-N-propan-2-yl-N'-(thiophene-2-carbonyl)carbamimidate
SMILESCOCCO/C(=N\C(=O)c1cccs1)N(C)C(C)C
InChIInChI=1S/C13H20N2O3S/c1-10(2)15(3)13(18-8-7-17-4)14-12(16)11-6-5-9-19-11/h5-6,9-10H,7-8H2,1-4H3/b14-13-
InChIKeyNPAGZESNRIJFOH-YPKPFQOOSA-N
XLogP2.25
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-methoxyethyl N-methyl-N-propan-2-yl-N'-(thiophene-2-carbonyl)carbamimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylpropyl N-benzyl-N-methyl-N'-(thiophene-2-carbonyl)carbamimidate
CID 7264058
2-methoxyethyl 4-methyl-N-(thiophene-2-carbonyl)piperidine-1-carboximidate
CID 7287913
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
2-(2-methoxyethoxy)ethyl thiophene-2-carboxylate
CID 174814348
2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one
CID 116567437
2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone
CID 61451901
N-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide
CID 2746671
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
2-methoxyethyl N'-propyl-N-(thiophene-2-carbonyl)carbamimidate
CID 7361978
4-methylpentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
CID 91704817
N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 39964677
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-methyl-N-propan-2-yl-N'-(thiophene-2-carbonyl)carbamimidate?
The IUPAC name of 2-methoxyethyl N-methyl-N-propan-2-yl-N'-(thiophene-2-carbonyl)carbamimidate (CID 7410045) is 2-methoxyethyl N-methyl-N-propan-2-yl-N'-(thiophene-2-carbonyl)carbamimidate.
What is the SMILES notation for 2-methoxyethyl N-methyl-N-propan-2-yl-N'-(thiophene-2-carbonyl)carbamimidate?
The canonical SMILES for 2-methoxyethyl N-methyl-N-propan-2-yl-N'-(thiophene-2-carbonyl)carbamimidate is COCCO/C(=N\C(=O)c1cccs1)N(C)C(C)C.
What is the InChIKey of 2-methoxyethyl N-methyl-N-propan-2-yl-N'-(thiophene-2-carbonyl)carbamimidate?
The InChIKey is NPAGZESNRIJFOH-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(2)15(3)13(18-8-7-17-4)14-12(16)11-6-5-9-19-11/h5-6,9-10H,7-8H2,1-4H3/b14-13-.
What are the key properties of 2-methoxyethyl N-methyl-N-propan-2-yl-N'-(thiophene-2-carbonyl)carbamimidate?
2-methoxyethyl N-methyl-N-propan-2-yl-N'-(thiophene-2-carbonyl)carbamimidate has a molecular weight of 284.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-methyl-N-propan-2-yl-N'-(thiophene-2-carbonyl)carbamimidate is sourced from PubChem (CID 7410045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).