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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-1,1-dioxothiolan-3-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62370839
N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 51170868
N-(4-chloro-1,1-dioxothiolan-3-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872554
ethane;2-(3-methylpyrrolidin-1-yl)acetic acid
CID 143851762
1-(3-methylpyrrolidin-1-yl)but-3-en-2-one
CID 167082770
2-(3-methylpiperidin-1-yl)acetohydrazide
CID 43906557
2-[(3R)-3-methoxypyrrolidin-1-yl]-N-methylacetamide
CID 130725600
N-iodo-2-(4-methylpiperidin-1-yl)acetamide
CID 171081144
formic acid;3-[[2-(3-methylpiperidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 154919755
N-cyclopropyl-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 27444185
N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide
CID 61223798
N-[(3R,4R)-4-chloro-1,1-dioxothiolan-3-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 8587401

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).