N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-ethylbutanamide

C11H22N2O3S — CID 60604854

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN1CCCS1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-3-10(4-2)11(14)12-6-8-13-7-5-9-17(13,15)16/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyRWIZFDOWCHCSBX-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.57
Rot. Bonds6

About N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-ethylbutanamide

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-ethylbutanamide (PubChem CID 60604854) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-ethylbutanamide
PubChem CID60604854
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN1CCCS1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-3-10(4-2)11(14)12-6-8-13-7-5-9-17(13,15)16/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyRWIZFDOWCHCSBX-UHFFFAOYSA-N
XLogP0.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylsulfonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 3239105
1-(propylsulfonyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 3243812
N-ethyl-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide
CID 110196137
N-[2-(dimethylamino)ethyl]-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3636220
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclobutanecarboxamide
CID 49068721
1-cyclopentyl-N-[(3S)-2-oxopyrrolidin-3-yl]methanesulfonamide
CID 125448538
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide
CID 136531517
[5-Oxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675168
[1-(2-Acetamidoethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675214
[5-Oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675281
[1-[2-(Ethylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675317
[1-[2-(Methylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675484

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-ethylbutanamide (CID 60604854) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCN1CCCS1(=O)=O.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-ethylbutanamide?
The InChIKey is RWIZFDOWCHCSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-10(4-2)11(14)12-6-8-13-7-5-9-17(13,15)16/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-ethylbutanamide?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-ethylbutanamide has a molecular weight of 262.37 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 60604854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).