3-chloro-2-(3-methylthiomorpholin-4-yl)pyridine-4-carboximidamide

C11H15ClN4S — CID 107060304

IUPAC3-chloro-2-(3-methylthiomorpholin-4-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCSCC2C)c1Cl
InChIInChI=1S/C11H15ClN4S/c1-7-6-17-5-4-16(7)11-9(12)8(10(13)14)2-3-15-11/h2-3,7H,4-6H2,1H3,(H3,13,14)
InChIKeyIAQRCZDESWKOEC-UHFFFAOYSA-N
MW270.79 g/mol
LogP1.96
Rot. Bonds2

About 3-chloro-2-(3-methylthiomorpholin-4-yl)pyridine-4-carboximidamide

3-chloro-2-(3-methylthiomorpholin-4-yl)pyridine-4-carboximidamide (PubChem CID 107060304) has the molecular formula C11H15ClN4S and a molecular weight of 270.79 g/mol. Its IUPAC name is 3-chloro-2-(3-methylthiomorpholin-4-yl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(3-methylthiomorpholin-4-yl)pyridine-4-carboximidamide
PubChem CID107060304
Molecular FormulaC11H15ClN4S
Molecular Weight270.79 g/mol
Exact Mass270.07
IUPAC Name3-chloro-2-(3-methylthiomorpholin-4-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCSCC2C)c1Cl
InChIInChI=1S/C11H15ClN4S/c1-7-6-17-5-4-16(7)11-9(12)8(10(13)14)2-3-15-11/h2-3,7H,4-6H2,1H3,(H3,13,14)
InChIKeyIAQRCZDESWKOEC-UHFFFAOYSA-N
XLogP1.96
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 51.96
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-methylthiomorpholin-4-yl)pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(3-methylthiomorpholin-4-yl)pyridine-4-carboximidamide (CID 107060304) is 3-chloro-2-(3-methylthiomorpholin-4-yl)pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(3-methylthiomorpholin-4-yl)pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(3-methylthiomorpholin-4-yl)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N2CCSCC2C)c1Cl.
What is the InChIKey of 3-chloro-2-(3-methylthiomorpholin-4-yl)pyridine-4-carboximidamide?
The InChIKey is IAQRCZDESWKOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4S/c1-7-6-17-5-4-16(7)11-9(12)8(10(13)14)2-3-15-11/h2-3,7H,4-6H2,1H3,(H3,13,14).
What are the key properties of 3-chloro-2-(3-methylthiomorpholin-4-yl)pyridine-4-carboximidamide?
3-chloro-2-(3-methylthiomorpholin-4-yl)pyridine-4-carboximidamide has a molecular weight of 270.79 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-methylthiomorpholin-4-yl)pyridine-4-carboximidamide is sourced from PubChem (CID 107060304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).