N-ethyl-2-(3-ethylsulfanylpyrrolidin-1-yl)acetamide

C10H20N2OS — CID 59444614

IUPACN-ethyl-2-(3-ethylsulfanylpyrrolidin-1-yl)acetamide
SMILESCCNC(=O)CN1CCC(SCC)C1
InChIInChI=1S/C10H20N2OS/c1-3-11-10(13)8-12-6-5-9(7-12)14-4-2/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyHHSWCMMKRJRWQL-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.95
Rot. Bonds5

About N-ethyl-2-(3-ethylsulfanylpyrrolidin-1-yl)acetamide

N-ethyl-2-(3-ethylsulfanylpyrrolidin-1-yl)acetamide (PubChem CID 59444614) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-ethyl-2-(3-ethylsulfanylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-ethylsulfanylpyrrolidin-1-yl)acetamide
PubChem CID59444614
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-ethyl-2-(3-ethylsulfanylpyrrolidin-1-yl)acetamide
SMILESCCNC(=O)CN1CCC(SCC)C1
InChIInChI=1S/C10H20N2OS/c1-3-11-10(13)8-12-6-5-9(7-12)14-4-2/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyHHSWCMMKRJRWQL-UHFFFAOYSA-N
XLogP0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethylsulfanylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-ethyl-2-(3-ethylsulfanylpyrrolidin-1-yl)acetamide (CID 59444614) is N-ethyl-2-(3-ethylsulfanylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-ethylsulfanylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-ethyl-2-(3-ethylsulfanylpyrrolidin-1-yl)acetamide is CCNC(=O)CN1CCC(SCC)C1.
What is the InChIKey of N-ethyl-2-(3-ethylsulfanylpyrrolidin-1-yl)acetamide?
The InChIKey is HHSWCMMKRJRWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-11-10(13)8-12-6-5-9(7-12)14-4-2/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of N-ethyl-2-(3-ethylsulfanylpyrrolidin-1-yl)acetamide?
N-ethyl-2-(3-ethylsulfanylpyrrolidin-1-yl)acetamide has a molecular weight of 216.35 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethylsulfanylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 59444614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).