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

C9H18N2O3S — CID 110196137

IUPACN-ethyl-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide
SMILESCCNC(=O)CC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H18N2O3S/c1-3-10-9(12)6-8-4-5-11(7-8)15(2,13)14/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyYMFNIDJFMQWLBV-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.21
Rot. Bonds4

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

N-ethyl-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide (PubChem CID 110196137) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-ethyl-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide
PubChem CID110196137
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-ethyl-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide
SMILESCCNC(=O)CC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H18N2O3S/c1-3-10-9(12)6-8-4-5-11(7-8)15(2,13)14/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyYMFNIDJFMQWLBV-UHFFFAOYSA-N
XLogP-0.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide?
The IUPAC name of N-ethyl-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide (CID 110196137) is N-ethyl-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide?
The canonical SMILES for N-ethyl-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide is CCNC(=O)CC1CCN(S(C)(=O)=O)C1.
What is the InChIKey of N-ethyl-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide?
The InChIKey is YMFNIDJFMQWLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-3-10-9(12)6-8-4-5-11(7-8)15(2,13)14/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of N-ethyl-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide?
N-ethyl-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide has a molecular weight of 234.32 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 110196137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).