2-pyridin-2-yl-2-thiomorpholin-4-ylpentanamide

C14H21N3OS — CID 129053504

IUPAC2-pyridin-2-yl-2-thiomorpholin-4-ylpentanamide
SMILESCCCC(C(N)=O)(c1ccccn1)N1CCSCC1
InChIInChI=1S/C14H21N3OS/c1-2-6-14(13(15)18,12-5-3-4-7-16-12)17-8-10-19-11-9-17/h3-5,7H,2,6,8-11H2,1H3,(H2,15,18)
InChIKeyPIUORYWTDGPTFP-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.61
Rot. Bonds5

About 2-pyridin-2-yl-2-thiomorpholin-4-ylpentanamide

2-pyridin-2-yl-2-thiomorpholin-4-ylpentanamide (PubChem CID 129053504) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-pyridin-2-yl-2-thiomorpholin-4-ylpentanamide.

Molecular Properties

Compound Name2-pyridin-2-yl-2-thiomorpholin-4-ylpentanamide
PubChem CID129053504
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-pyridin-2-yl-2-thiomorpholin-4-ylpentanamide
SMILESCCCC(C(N)=O)(c1ccccn1)N1CCSCC1
InChIInChI=1S/C14H21N3OS/c1-2-6-14(13(15)18,12-5-3-4-7-16-12)17-8-10-19-11-9-17/h3-5,7H,2,6,8-11H2,1H3,(H2,15,18)
InChIKeyPIUORYWTDGPTFP-UHFFFAOYSA-N
XLogP1.61
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-2-thiomorpholin-4-ylpentanamide?
The IUPAC name of 2-pyridin-2-yl-2-thiomorpholin-4-ylpentanamide (CID 129053504) is 2-pyridin-2-yl-2-thiomorpholin-4-ylpentanamide.
What is the SMILES notation for 2-pyridin-2-yl-2-thiomorpholin-4-ylpentanamide?
The canonical SMILES for 2-pyridin-2-yl-2-thiomorpholin-4-ylpentanamide is CCCC(C(N)=O)(c1ccccn1)N1CCSCC1.
What is the InChIKey of 2-pyridin-2-yl-2-thiomorpholin-4-ylpentanamide?
The InChIKey is PIUORYWTDGPTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-6-14(13(15)18,12-5-3-4-7-16-12)17-8-10-19-11-9-17/h3-5,7H,2,6,8-11H2,1H3,(H2,15,18).
What are the key properties of 2-pyridin-2-yl-2-thiomorpholin-4-ylpentanamide?
2-pyridin-2-yl-2-thiomorpholin-4-ylpentanamide has a molecular weight of 279.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-2-thiomorpholin-4-ylpentanamide is sourced from PubChem (CID 129053504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).