N-(4-methoxy-1,1-dioxothiolan-3-yl)-2-(3-methylpyrrolidin-1-yl)acetamide

C12H22N2O4S — CID 154764316

IUPACN-(4-methoxy-1,1-dioxothiolan-3-yl)-2-(3-methylpyrrolidin-1-yl)acetamide
SMILESCOC1CS(=O)(=O)CC1NC(=O)CN1CCC(C)C1
InChIInChI=1S/C12H22N2O4S/c1-9-3-4-14(5-9)6-12(15)13-10-7-19(16,17)8-11(10)18-2/h9-11H,3-8H2,1-2H3,(H,13,15)
InChIKeyQKIREVORVADDFJ-UHFFFAOYSA-N
MW290.38 g/mol
LogP-0.74
Rot. Bonds4

About N-(4-methoxy-1,1-dioxothiolan-3-yl)-2-(3-methylpyrrolidin-1-yl)acetamide

N-(4-methoxy-1,1-dioxothiolan-3-yl)-2-(3-methylpyrrolidin-1-yl)acetamide (PubChem CID 154764316) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is N-(4-methoxy-1,1-dioxothiolan-3-yl)-2-(3-methylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-1,1-dioxothiolan-3-yl)-2-(3-methylpyrrolidin-1-yl)acetamide
PubChem CID154764316
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC NameN-(4-methoxy-1,1-dioxothiolan-3-yl)-2-(3-methylpyrrolidin-1-yl)acetamide
SMILESCOC1CS(=O)(=O)CC1NC(=O)CN1CCC(C)C1
InChIInChI=1S/C12H22N2O4S/c1-9-3-4-14(5-9)6-12(15)13-10-7-19(16,17)8-11(10)18-2/h9-11H,3-8H2,1-2H3,(H,13,15)
InChIKeyQKIREVORVADDFJ-UHFFFAOYSA-N
XLogP-0.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,1-dioxothiolan-3-yl)-2-(3-methylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-methoxy-1,1-dioxothiolan-3-yl)-2-(3-methylpyrrolidin-1-yl)acetamide (CID 154764316) is N-(4-methoxy-1,1-dioxothiolan-3-yl)-2-(3-methylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-methoxy-1,1-dioxothiolan-3-yl)-2-(3-methylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-methoxy-1,1-dioxothiolan-3-yl)-2-(3-methylpyrrolidin-1-yl)acetamide is COC1CS(=O)(=O)CC1NC(=O)CN1CCC(C)C1.
What is the InChIKey of N-(4-methoxy-1,1-dioxothiolan-3-yl)-2-(3-methylpyrrolidin-1-yl)acetamide?
The InChIKey is QKIREVORVADDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-9-3-4-14(5-9)6-12(15)13-10-7-19(16,17)8-11(10)18-2/h9-11H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-(4-methoxy-1,1-dioxothiolan-3-yl)-2-(3-methylpyrrolidin-1-yl)acetamide?
N-(4-methoxy-1,1-dioxothiolan-3-yl)-2-(3-methylpyrrolidin-1-yl)acetamide has a molecular weight of 290.38 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,1-dioxothiolan-3-yl)-2-(3-methylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 154764316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).