N-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide

C11H20N2O2S — CID 13048739

IUPACN-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide
SMILESCCSCC(NC(C)=O)C(=O)N1CCCC1
InChIInChI=1S/C11H20N2O2S/c1-3-16-8-10(12-9(2)14)11(15)13-6-4-5-7-13/h10H,3-8H2,1-2H3,(H,12,14)
InChIKeyNHRFCMFRIUCCTK-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.87
Rot. Bonds5

About N-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide

N-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide (PubChem CID 13048739) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide
PubChem CID13048739
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide
SMILESCCSCC(NC(C)=O)C(=O)N1CCCC1
InChIInChI=1S/C11H20N2O2S/c1-3-16-8-10(12-9(2)14)11(15)13-6-4-5-7-13/h10H,3-8H2,1-2H3,(H,12,14)
InChIKeyNHRFCMFRIUCCTK-UHFFFAOYSA-N
XLogP0.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 7004900
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CID 145980045
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CID 516555
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CID 516556
CID 516556
CID 516558
CID 516558
CID 516559
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CID 516560
CID 516560

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide?
The IUPAC name of N-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide (CID 13048739) is N-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide.
What is the SMILES notation for N-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide?
The canonical SMILES for N-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide is CCSCC(NC(C)=O)C(=O)N1CCCC1.
What is the InChIKey of N-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide?
The InChIKey is NHRFCMFRIUCCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-16-8-10(12-9(2)14)11(15)13-6-4-5-7-13/h10H,3-8H2,1-2H3,(H,12,14).
What are the key properties of N-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide?
N-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide has a molecular weight of 244.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide is sourced from PubChem (CID 13048739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).