N-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide

C14H21N3O2S — CID 66422480

IUPACN-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide
SMILESCC(C)Oc1ncccc1NC(=O)CC1CSCCN1
InChIInChI=1S/C14H21N3O2S/c1-10(2)19-14-12(4-3-5-16-14)17-13(18)8-11-9-20-7-6-15-11/h3-5,10-11,15H,6-9H2,1-2H3,(H,17,18)
InChIKeyYQLIKMVUTWFJNC-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.90
Rot. Bonds5

About N-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide

N-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66422480) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66422480
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide
SMILESCC(C)Oc1ncccc1NC(=O)CC1CSCCN1
InChIInChI=1S/C14H21N3O2S/c1-10(2)19-14-12(4-3-5-16-14)17-13(18)8-11-9-20-7-6-15-11/h3-5,10-11,15H,6-9H2,1-2H3,(H,17,18)
InChIKeyYQLIKMVUTWFJNC-UHFFFAOYSA-N
XLogP1.90
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide 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

N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936153
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide
CID 119941158
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042
N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 66420040
N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420642
N-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938718
4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid
CID 61379431
2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 66421203
N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119936161
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 119941368
3-(ethylamino)-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 62834244
2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119936148

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide (CID 66422480) is N-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide is CC(C)Oc1ncccc1NC(=O)CC1CSCCN1.
What is the InChIKey of N-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is YQLIKMVUTWFJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10(2)19-14-12(4-3-5-16-14)17-13(18)8-11-9-20-7-6-15-11/h3-5,10-11,15H,6-9H2,1-2H3,(H,17,18).
What are the key properties of N-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide?
N-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 295.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).