5-cyclopropyl-2-imino-N-methyl-4-[(1-methylcyclohexyl)methoxy]-N-sulfanylpyridine-1-carboximidamide

C18H28N4OS — CID 144721586

IUPAC5-cyclopropyl-2-imino-N-methyl-4-[(1-methylcyclohexyl)methoxy]-N-sulfanylpyridine-1-carboximidamide
SMILES[H]/N=C(\N(C)S)n1cc(C2CC2)c(OCC2(C)CCCCC2)c/c1=N\[H]
InChIInChI=1S/C18H28N4OS/c1-18(8-4-3-5-9-18)12-23-15-10-16(19)22(17(20)21(2)24)11-14(15)13-6-7-13/h10-11,13,19-20,24H,3-9,12H2,1-2H3/b19-16+,20-17+
InChIKeyXYHVGEYQNJRVSM-VQZJLROISA-N
MW348.52 g/mol
LogP3.75
Rot. Bonds4

About 5-cyclopropyl-2-imino-N-methyl-4-[(1-methylcyclohexyl)methoxy]-N-sulfanylpyridine-1-carboximidamide

5-cyclopropyl-2-imino-N-methyl-4-[(1-methylcyclohexyl)methoxy]-N-sulfanylpyridine-1-carboximidamide (PubChem CID 144721586) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is 5-cyclopropyl-2-imino-N-methyl-4-[(1-methylcyclohexyl)methoxy]-N-sulfanylpyridine-1-carboximidamide.

Molecular Properties

Compound Name5-cyclopropyl-2-imino-N-methyl-4-[(1-methylcyclohexyl)methoxy]-N-sulfanylpyridine-1-carboximidamide
PubChem CID144721586
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Name5-cyclopropyl-2-imino-N-methyl-4-[(1-methylcyclohexyl)methoxy]-N-sulfanylpyridine-1-carboximidamide
SMILES[H]/N=C(\N(C)S)n1cc(C2CC2)c(OCC2(C)CCCCC2)c/c1=N\[H]
InChIInChI=1S/C18H28N4OS/c1-18(8-4-3-5-9-18)12-23-15-10-16(19)22(17(20)21(2)24)11-14(15)13-6-7-13/h10-11,13,19-20,24H,3-9,12H2,1-2H3/b19-16+,20-17+
InChIKeyXYHVGEYQNJRVSM-VQZJLROISA-N
XLogP3.75
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 5-cyclopropyl-2-imino-N-methyl-4-[(1-methylcyclohexyl)methoxy]-N-sulfanylpyridine-1-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-imino-N-methyl-4-[(1-methylcyclohexyl)methoxy]-N-sulfanylpyridine-1-carboximidamide?
The IUPAC name of 5-cyclopropyl-2-imino-N-methyl-4-[(1-methylcyclohexyl)methoxy]-N-sulfanylpyridine-1-carboximidamide (CID 144721586) is 5-cyclopropyl-2-imino-N-methyl-4-[(1-methylcyclohexyl)methoxy]-N-sulfanylpyridine-1-carboximidamide.
What is the SMILES notation for 5-cyclopropyl-2-imino-N-methyl-4-[(1-methylcyclohexyl)methoxy]-N-sulfanylpyridine-1-carboximidamide?
The canonical SMILES for 5-cyclopropyl-2-imino-N-methyl-4-[(1-methylcyclohexyl)methoxy]-N-sulfanylpyridine-1-carboximidamide is [H]/N=C(\N(C)S)n1cc(C2CC2)c(OCC2(C)CCCCC2)c/c1=N\[H].
What is the InChIKey of 5-cyclopropyl-2-imino-N-methyl-4-[(1-methylcyclohexyl)methoxy]-N-sulfanylpyridine-1-carboximidamide?
The InChIKey is XYHVGEYQNJRVSM-VQZJLROISA-N. The full InChI is InChI=1S/C18H28N4OS/c1-18(8-4-3-5-9-18)12-23-15-10-16(19)22(17(20)21(2)24)11-14(15)13-6-7-13/h10-11,13,19-20,24H,3-9,12H2,1-2H3/b19-16+,20-17+.
What are the key properties of 5-cyclopropyl-2-imino-N-methyl-4-[(1-methylcyclohexyl)methoxy]-N-sulfanylpyridine-1-carboximidamide?
5-cyclopropyl-2-imino-N-methyl-4-[(1-methylcyclohexyl)methoxy]-N-sulfanylpyridine-1-carboximidamide has a molecular weight of 348.52 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-imino-N-methyl-4-[(1-methylcyclohexyl)methoxy]-N-sulfanylpyridine-1-carboximidamide is sourced from PubChem (CID 144721586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).