2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide

C11H16N4S — CID 43296742

IUPAC2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1N(C)C1CCSC1
InChIInChI=1S/C11H16N4S/c1-15(8-4-6-16-7-8)11-9(10(12)13)3-2-5-14-11/h2-3,5,8H,4,6-7H2,1H3,(H3,12,13)
InChIKeyZKYSKSJFPQSFPZ-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.31
Rot. Bonds3

About 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide

2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide (PubChem CID 43296742) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide
PubChem CID43296742
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1N(C)C1CCSC1
InChIInChI=1S/C11H16N4S/c1-15(8-4-6-16-7-8)11-9(10(12)13)3-2-5-14-11/h2-3,5,8H,4,6-7H2,1H3,(H3,12,13)
InChIKeyZKYSKSJFPQSFPZ-UHFFFAOYSA-N
XLogP1.31
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide 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-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid
CID 43296968
2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide
CID 55004075
3-[cyclopentyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513212
3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide
CID 107060380
2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458
2-[ethyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 43265878
2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide
CID 61377512
2-methoxy-5-[[methyl(thiolan-3-yl)amino]methyl]benzenecarboximidamide
CID 65338650
2-amino-3-[methyl(thiolan-3-yl)amino]benzamide
CID 115544771
3-[methyl(thiolan-3-yl)amino]pyridazine-4-carbonitrile
CID 80509474
2-[cyclopentyl(methyl)amino]benzenecarboximidamide
CID 43267235
2-(dibenzylamino)pyridine-3-carboximidamide
CID 130157138

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide?
The IUPAC name of 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide (CID 43296742) is 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide?
The canonical SMILES for 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1N(C)C1CCSC1.
What is the InChIKey of 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide?
The InChIKey is ZKYSKSJFPQSFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-15(8-4-6-16-7-8)11-9(10(12)13)3-2-5-14-11/h2-3,5,8H,4,6-7H2,1H3,(H3,12,13).
What are the key properties of 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide?
2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide has a molecular weight of 236.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 43296742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).