N-methyl-2-thiomorpholin-4-ylpyridine-3-carboxamide

C11H15N3OS — CID 53015819

IUPACN-methyl-2-thiomorpholin-4-ylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCSCC1
InChIInChI=1S/C11H15N3OS/c1-12-11(15)9-3-2-4-13-10(9)14-5-7-16-8-6-14/h2-4H,5-8H2,1H3,(H,12,15)
InChIKeyCGVPVMYGBJPHKH-UHFFFAOYSA-N
MW237.33 g/mol
LogP0.99
Rot. Bonds2

About N-methyl-2-thiomorpholin-4-ylpyridine-3-carboxamide

N-methyl-2-thiomorpholin-4-ylpyridine-3-carboxamide (PubChem CID 53015819) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-methyl-2-thiomorpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-thiomorpholin-4-ylpyridine-3-carboxamide
PubChem CID53015819
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-methyl-2-thiomorpholin-4-ylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCSCC1
InChIInChI=1S/C11H15N3OS/c1-12-11(15)9-3-2-4-13-10(9)14-5-7-16-8-6-14/h2-4H,5-8H2,1H3,(H,12,15)
InChIKeyCGVPVMYGBJPHKH-UHFFFAOYSA-N
XLogP0.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thiomorpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-methyl-2-thiomorpholin-4-ylpyridine-3-carboxamide (CID 53015819) is N-methyl-2-thiomorpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-thiomorpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-thiomorpholin-4-ylpyridine-3-carboxamide is CNC(=O)c1cccnc1N1CCSCC1.
What is the InChIKey of N-methyl-2-thiomorpholin-4-ylpyridine-3-carboxamide?
The InChIKey is CGVPVMYGBJPHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-12-11(15)9-3-2-4-13-10(9)14-5-7-16-8-6-14/h2-4H,5-8H2,1H3,(H,12,15).
What are the key properties of N-methyl-2-thiomorpholin-4-ylpyridine-3-carboxamide?
N-methyl-2-thiomorpholin-4-ylpyridine-3-carboxamide has a molecular weight of 237.33 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-thiomorpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 53015819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).