N-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-1-yl)acetamide

C11H21N3O3S — CID 62672633

IUPACN-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-1-yl)acetamide
SMILESCC1CNCCN1CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H21N3O3S/c1-9-6-12-3-4-14(9)7-11(15)13-10-2-5-18(16,17)8-10/h9-10,12H,2-8H2,1H3,(H,13,15)
InChIKeyPTXCTUMTCJJONZ-UHFFFAOYSA-N
MW275.37 g/mol
LogP-1.42
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-1-yl)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-1-yl)acetamide (PubChem CID 62672633) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-1-yl)acetamide
PubChem CID62672633
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-1-yl)acetamide
SMILESCC1CNCCN1CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H21N3O3S/c1-9-6-12-3-4-14(9)7-11(15)13-10-2-5-18(16,17)8-10/h9-10,12H,2-8H2,1H3,(H,13,15)
InChIKeyPTXCTUMTCJJONZ-UHFFFAOYSA-N
XLogP-1.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-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-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916512
N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 62674057
N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 51170868
N-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942456
1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441841
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 55104253
N-(methylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673678
2-[(2R)-2-methylpiperazin-1-yl]-N-propylacetamide
CID 82713907
4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]thiomorpholine-3-carboxylic acid
CID 82906389
N-(1,1-dioxothiolan-3-yl)-2-piperidin-4-ylacetamide
CID 24700012
2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide
CID 62378969
N,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 69170462

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-1-yl)acetamide (CID 62672633) is N-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-1-yl)acetamide is CC1CNCCN1CC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-1-yl)acetamide?
The InChIKey is PTXCTUMTCJJONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-9-6-12-3-4-14(9)7-11(15)13-10-2-5-18(16,17)8-10/h9-10,12H,2-8H2,1H3,(H,13,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-1-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-1-yl)acetamide has a molecular weight of 275.37 g/mol, XLogP of -1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 62672633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).