2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide

C9H14N2OS — CID 107780463

IUPAC2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide
SMILES[H]/N=C(\N)C(C)CSc1ccoc1C
InChIInChI=1S/C9H14N2OS/c1-6(9(10)11)5-13-8-3-4-12-7(8)2/h3-4,6H,5H2,1-2H3,(H3,10,11)
InChIKeyINGUCUHOKUKZLC-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.25
Rot. Bonds4

About 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide

2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide (PubChem CID 107780463) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide.

Molecular Properties

Compound Name2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide
PubChem CID107780463
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide
SMILES[H]/N=C(\N)C(C)CSc1ccoc1C
InChIInChI=1S/C9H14N2OS/c1-6(9(10)11)5-13-8-3-4-12-7(8)2/h3-4,6H,5H2,1-2H3,(H3,10,11)
InChIKeyINGUCUHOKUKZLC-UHFFFAOYSA-N
XLogP2.25
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide 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

3-(2-methylfuran-3-yl)sulfanyl-2-phenylpropanimidamide
CID 107780467
2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoic acid
CID 107779054
ethyl 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoate
CID 107779061
3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide
CID 107782021
5-(2-methylfuran-3-yl)sulfanylpentanimidamide
CID 107780480
3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol
CID 104922695
2-methyl-3-(2-methylbutylsulfanyl)furan
CID 91705262
1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784256
3-fluoro-5-[(2-methylfuran-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 114000768
2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide
CID 60876759
2-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanimidamide
CID 135922171
N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine
CID 107784089

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide?
The IUPAC name of 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide (CID 107780463) is 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide.
What is the SMILES notation for 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide?
The canonical SMILES for 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide is [H]/N=C(\N)C(C)CSc1ccoc1C.
What is the InChIKey of 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide?
The InChIKey is INGUCUHOKUKZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6(9(10)11)5-13-8-3-4-12-7(8)2/h3-4,6H,5H2,1-2H3,(H3,10,11).
What are the key properties of 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide?
2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide has a molecular weight of 198.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide is sourced from PubChem (CID 107780463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).