N-(1,1-dioxothiolan-3-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]acetamide

C13H20N2O3S2 — CID 51103352

IUPACN-(1,1-dioxothiolan-3-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]acetamide
SMILESCN(CCc1cccs1)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H20N2O3S2/c1-15(6-4-12-3-2-7-19-12)9-13(16)14-11-5-8-20(17,18)10-11/h2-3,7,11H,4-6,8-10H2,1H3,(H,14,16)
InChIKeyUZVXWZYYDSVRGI-UHFFFAOYSA-N
MW316.45 g/mol
LogP0.53
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]acetamide (PubChem CID 51103352) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]acetamide
PubChem CID51103352
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]acetamide
SMILESCN(CCc1cccs1)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H20N2O3S2/c1-15(6-4-12-3-2-7-19-12)9-13(16)14-11-5-8-20(17,18)10-11/h2-3,7,11H,4-6,8-10H2,1H3,(H,14,16)
InChIKeyUZVXWZYYDSVRGI-UHFFFAOYSA-N
XLogP0.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]acetamide (CID 51103352) is N-(1,1-dioxothiolan-3-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]acetamide is CN(CCc1cccs1)CC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]acetamide?
The InChIKey is UZVXWZYYDSVRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-15(6-4-12-3-2-7-19-12)9-13(16)14-11-5-8-20(17,18)10-11/h2-3,7,11H,4-6,8-10H2,1H3,(H,14,16).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]acetamide has a molecular weight of 316.45 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]acetamide is sourced from PubChem (CID 51103352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).