2-[ethyl(pyrrolidin-3-ylsulfonyl)amino]acetamide

C8H17N3O3S — CID 103104229

IUPAC2-[ethyl(pyrrolidin-3-ylsulfonyl)amino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)C1CCNC1
InChIInChI=1S/C8H17N3O3S/c1-2-11(6-8(9)12)15(13,14)7-3-4-10-5-7/h7,10H,2-6H2,1H3,(H2,9,12)
InChIKeyIGSAETZQXZTHNJ-UHFFFAOYSA-N
MW235.31 g/mol
LogP-1.51
Rot. Bonds5

About 2-[ethyl(pyrrolidin-3-ylsulfonyl)amino]acetamide

2-[ethyl(pyrrolidin-3-ylsulfonyl)amino]acetamide (PubChem CID 103104229) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-[ethyl(pyrrolidin-3-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound Name2-[ethyl(pyrrolidin-3-ylsulfonyl)amino]acetamide
PubChem CID103104229
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name2-[ethyl(pyrrolidin-3-ylsulfonyl)amino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)C1CCNC1
InChIInChI=1S/C8H17N3O3S/c1-2-11(6-8(9)12)15(13,14)7-3-4-10-5-7/h7,10H,2-6H2,1H3,(H2,9,12)
InChIKeyIGSAETZQXZTHNJ-UHFFFAOYSA-N
XLogP-1.51
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyrrolidin-3-ylsulfonyl)amino]acetamide?
The IUPAC name of 2-[ethyl(pyrrolidin-3-ylsulfonyl)amino]acetamide (CID 103104229) is 2-[ethyl(pyrrolidin-3-ylsulfonyl)amino]acetamide.
What is the SMILES notation for 2-[ethyl(pyrrolidin-3-ylsulfonyl)amino]acetamide?
The canonical SMILES for 2-[ethyl(pyrrolidin-3-ylsulfonyl)amino]acetamide is CCN(CC(N)=O)S(=O)(=O)C1CCNC1.
What is the InChIKey of 2-[ethyl(pyrrolidin-3-ylsulfonyl)amino]acetamide?
The InChIKey is IGSAETZQXZTHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-2-11(6-8(9)12)15(13,14)7-3-4-10-5-7/h7,10H,2-6H2,1H3,(H2,9,12).
What are the key properties of 2-[ethyl(pyrrolidin-3-ylsulfonyl)amino]acetamide?
2-[ethyl(pyrrolidin-3-ylsulfonyl)amino]acetamide has a molecular weight of 235.31 g/mol, XLogP of -1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyrrolidin-3-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 103104229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).