N-(1-methyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide

C12H17N3O2S — CID 66420459

IUPACN-(1-methyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide
SMILESCn1cc(NC(=O)CC2CSCCN2)ccc1=O
InChIInChI=1S/C12H17N3O2S/c1-15-7-9(2-3-12(15)17)14-11(16)6-10-8-18-5-4-13-10/h2-3,7,10,13H,4-6,8H2,1H3,(H,14,16)
InChIKeyVROPPSHABFZXGG-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.42
Rot. Bonds3

About N-(1-methyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide

N-(1-methyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66420459) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(1-methyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66420459
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-(1-methyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide
SMILESCn1cc(NC(=O)CC2CSCCN2)ccc1=O
InChIInChI=1S/C12H17N3O2S/c1-15-7-9(2-3-12(15)17)14-11(16)6-10-8-18-5-4-13-10/h2-3,7,10,13H,4-6,8H2,1H3,(H,14,16)
InChIKeyVROPPSHABFZXGG-UHFFFAOYSA-N
XLogP0.42
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide (CID 66420459) is N-(1-methyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1-methyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1-methyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide is Cn1cc(NC(=O)CC2CSCCN2)ccc1=O.
What is the InChIKey of N-(1-methyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is VROPPSHABFZXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-15-7-9(2-3-12(15)17)14-11(16)6-10-8-18-5-4-13-10/h2-3,7,10,13H,4-6,8H2,1H3,(H,14,16).
What are the key properties of N-(1-methyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide?
N-(1-methyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 267.35 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).