N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide

C13H23N3O2S — CID 119940142

IUPACN-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide
SMILESCCC(=O)N1CCC(NC(=O)CC2CSCCN2)C1
InChIInChI=1S/C13H23N3O2S/c1-2-13(18)16-5-3-10(8-16)15-12(17)7-11-9-19-6-4-14-11/h10-11,14H,2-9H2,1H3,(H,15,17)
InChIKeyFXAVMLVKEYLLPZ-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.21
Rot. Bonds4

About N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide

N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119940142) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID119940142
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide
SMILESCCC(=O)N1CCC(NC(=O)CC2CSCCN2)C1
InChIInChI=1S/C13H23N3O2S/c1-2-13(18)16-5-3-10(8-16)15-12(17)7-11-9-19-6-4-14-11/h10-11,14H,2-9H2,1H3,(H,15,17)
InChIKeyFXAVMLVKEYLLPZ-UHFFFAOYSA-N
XLogP0.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119936782
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide
CID 119940150
N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66420098
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940149
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide
CID 66422654
N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119941128
N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119935763
2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide
CID 66422049
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941513
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide
CID 119942543
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119942509

Frequently Asked Questions

What is the IUPAC name of N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide (CID 119940142) is N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide is CCC(=O)N1CCC(NC(=O)CC2CSCCN2)C1.
What is the InChIKey of N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is FXAVMLVKEYLLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-2-13(18)16-5-3-10(8-16)15-12(17)7-11-9-19-6-4-14-11/h10-11,14H,2-9H2,1H3,(H,15,17).
What are the key properties of N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide?
N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 285.41 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119940142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).