2-(2-ethoxyethylsulfonylamino)-N-methyl-N-pyrrolidin-3-ylacetamide

C11H23N3O4S — CID 119554242

IUPAC2-(2-ethoxyethylsulfonylamino)-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCCOCCS(=O)(=O)NCC(=O)N(C)C1CCNC1
InChIInChI=1S/C11H23N3O4S/c1-3-18-6-7-19(16,17)13-9-11(15)14(2)10-4-5-12-8-10/h10,12-13H,3-9H2,1-2H3
InChIKeyUBNWUWGSOZHTBS-UHFFFAOYSA-N
MW293.39 g/mol
LogP-1.24
Rot. Bonds8

About 2-(2-ethoxyethylsulfonylamino)-N-methyl-N-pyrrolidin-3-ylacetamide

2-(2-ethoxyethylsulfonylamino)-N-methyl-N-pyrrolidin-3-ylacetamide (PubChem CID 119554242) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-(2-ethoxyethylsulfonylamino)-N-methyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(2-ethoxyethylsulfonylamino)-N-methyl-N-pyrrolidin-3-ylacetamide
PubChem CID119554242
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Name2-(2-ethoxyethylsulfonylamino)-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCCOCCS(=O)(=O)NCC(=O)N(C)C1CCNC1
InChIInChI=1S/C11H23N3O4S/c1-3-18-6-7-19(16,17)13-9-11(15)14(2)10-4-5-12-8-10/h10,12-13H,3-9H2,1-2H3
InChIKeyUBNWUWGSOZHTBS-UHFFFAOYSA-N
XLogP-1.24
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride
CID 119553258
2-ethoxy-N-(3-methylpiperidin-4-yl)ethanesulfonamide
CID 79886103
2-(2-ethoxyethoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119552841
2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride
CID 119960526
2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide
CID 63246667
2-[2-ethoxyethylsulfonyl(piperidin-4-yl)amino]acetamide
CID 63246713
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide
CID 119554222
N-methyl-3-methylsulfonyl-N-piperidin-4-ylpropanamide
CID 61003895
N-methyl-3-methylsulfonyl-N-piperidin-3-ylpropanamide
CID 63642468
4-(dipropylamino)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551610
2-(2-ethoxyethoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530470

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylsulfonylamino)-N-methyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(2-ethoxyethylsulfonylamino)-N-methyl-N-pyrrolidin-3-ylacetamide (CID 119554242) is 2-(2-ethoxyethylsulfonylamino)-N-methyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(2-ethoxyethylsulfonylamino)-N-methyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(2-ethoxyethylsulfonylamino)-N-methyl-N-pyrrolidin-3-ylacetamide is CCOCCS(=O)(=O)NCC(=O)N(C)C1CCNC1.
What is the InChIKey of 2-(2-ethoxyethylsulfonylamino)-N-methyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is UBNWUWGSOZHTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-3-18-6-7-19(16,17)13-9-11(15)14(2)10-4-5-12-8-10/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 2-(2-ethoxyethylsulfonylamino)-N-methyl-N-pyrrolidin-3-ylacetamide?
2-(2-ethoxyethylsulfonylamino)-N-methyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 293.39 g/mol, XLogP of -1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylsulfonylamino)-N-methyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119554242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).