2-pyrrolidin-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide

C12H23N3O3S2 — CID 119777081

IUPAC2-pyrrolidin-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide
SMILESO=C(CC1CCCN1)NCCS(=O)(=O)N1CCSCC1
InChIInChI=1S/C12H23N3O3S2/c16-12(10-11-2-1-3-13-11)14-4-9-20(17,18)15-5-7-19-8-6-15/h11,13H,1-10H2,(H,14,16)
InChIKeyAZLLVLFLQFVWDN-UHFFFAOYSA-N
MW321.47 g/mol
LogP-0.38
Rot. Bonds6

About 2-pyrrolidin-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide

2-pyrrolidin-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide (PubChem CID 119777081) has the molecular formula C12H23N3O3S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide
PubChem CID119777081
Molecular FormulaC12H23N3O3S2
Molecular Weight321.47 g/mol
Exact Mass321.12
IUPAC Name2-pyrrolidin-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide
SMILESO=C(CC1CCCN1)NCCS(=O)(=O)N1CCSCC1
InChIInChI=1S/C12H23N3O3S2/c16-12(10-11-2-1-3-13-11)14-4-9-20(17,18)15-5-7-19-8-6-15/h11,13H,1-10H2,(H,14,16)
InChIKeyAZLLVLFLQFVWDN-UHFFFAOYSA-N
XLogP-0.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyrrolidin-2-yl-N-(2-sulfamoylethyl)acetamide
CID 61371209
N-[2-(dimethylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 106337483
N-[2-(propan-2-ylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119758912
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835586
N-(2-piperidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide
CID 54967426
N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide
CID 61365867
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-pyrrolidin-2-ylacetamide
CID 61366260
N-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide
CID 119761927
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-2-pyrrolidin-2-ylacetamide
CID 119895457
N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
CID 61366460
2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
CID 119705182

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide?
The IUPAC name of 2-pyrrolidin-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide (CID 119777081) is 2-pyrrolidin-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide?
The canonical SMILES for 2-pyrrolidin-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide is O=C(CC1CCCN1)NCCS(=O)(=O)N1CCSCC1.
What is the InChIKey of 2-pyrrolidin-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide?
The InChIKey is AZLLVLFLQFVWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S2/c16-12(10-11-2-1-3-13-11)14-4-9-20(17,18)15-5-7-19-8-6-15/h11,13H,1-10H2,(H,14,16).
What are the key properties of 2-pyrrolidin-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide?
2-pyrrolidin-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide has a molecular weight of 321.47 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide is sourced from PubChem (CID 119777081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).