N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide

C12H24N2O5S2 — CID 113148480

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CN(CC(=O)N(C)C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C12H24N2O5S2/c1-10(2)7-14(20(4,16)17)8-12(15)13(3)11-5-6-21(18,19)9-11/h10-11H,5-9H2,1-4H3
InChIKeyQGZNOAZLCOHVEW-UHFFFAOYSA-N
MW340.47 g/mol
LogP-0.45
Rot. Bonds6

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

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide (PubChem CID 113148480) has the molecular formula C12H24N2O5S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
PubChem CID113148480
Molecular FormulaC12H24N2O5S2
Molecular Weight340.47 g/mol
Exact Mass340.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CN(CC(=O)N(C)C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C12H24N2O5S2/c1-10(2)7-14(20(4,16)17)8-12(15)13(3)11-5-6-21(18,19)9-11/h10-11H,5-9H2,1-4H3
InChIKeyQGZNOAZLCOHVEW-UHFFFAOYSA-N
XLogP-0.45
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide (CID 113148480) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide is CC(C)CN(CC(=O)N(C)C1CCS(=O)(=O)C1)S(C)(=O)=O.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
The InChIKey is QGZNOAZLCOHVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5S2/c1-10(2)7-14(20(4,16)17)8-12(15)13(3)11-5-6-21(18,19)9-11/h10-11H,5-9H2,1-4H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide has a molecular weight of 340.47 g/mol, XLogP of -0.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113148480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).