N-pyrrol-1-yl-2-thiomorpholin-3-ylacetamide

C10H15N3OS — CID 79100767

IUPACN-pyrrol-1-yl-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nn1cccc1
InChIInChI=1S/C10H15N3OS/c14-10(12-13-4-1-2-5-13)7-9-8-15-6-3-11-9/h1-2,4-5,9,11H,3,6-8H2,(H,12,14)
InChIKeyMZOWPLAILMMAID-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.65
Rot. Bonds3

About N-pyrrol-1-yl-2-thiomorpholin-3-ylacetamide

N-pyrrol-1-yl-2-thiomorpholin-3-ylacetamide (PubChem CID 79100767) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-pyrrol-1-yl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-pyrrol-1-yl-2-thiomorpholin-3-ylacetamide
PubChem CID79100767
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-pyrrol-1-yl-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nn1cccc1
InChIInChI=1S/C10H15N3OS/c14-10(12-13-4-1-2-5-13)7-9-8-15-6-3-11-9/h1-2,4-5,9,11H,3,6-8H2,(H,12,14)
InChIKeyMZOWPLAILMMAID-UHFFFAOYSA-N
XLogP0.65
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66421005
N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420642
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420689
N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66420098
N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide
CID 119935796
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid
CID 66422867
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 114155796
N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421807

Frequently Asked Questions

What is the IUPAC name of N-pyrrol-1-yl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-pyrrol-1-yl-2-thiomorpholin-3-ylacetamide (CID 79100767) is N-pyrrol-1-yl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-pyrrol-1-yl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-pyrrol-1-yl-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nn1cccc1.
What is the InChIKey of N-pyrrol-1-yl-2-thiomorpholin-3-ylacetamide?
The InChIKey is MZOWPLAILMMAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c14-10(12-13-4-1-2-5-13)7-9-8-15-6-3-11-9/h1-2,4-5,9,11H,3,6-8H2,(H,12,14).
What are the key properties of N-pyrrol-1-yl-2-thiomorpholin-3-ylacetamide?
N-pyrrol-1-yl-2-thiomorpholin-3-ylacetamide has a molecular weight of 225.32 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrol-1-yl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 79100767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).