N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(N-methylanilino)acetamide

C14H20N2O3S — CID 94216251

IUPACN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(N-methylanilino)acetamide
SMILESCN(CC(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccccc1
InChIInChI=1S/C14H20N2O3S/c1-16(13-5-3-2-4-6-13)10-14(17)15-9-12-7-8-20(18,19)11-12/h2-6,12H,7-11H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyKCRMINKTDMYATQ-GFCCVEGCSA-N
MW296.39 g/mol
LogP0.67
Rot. Bonds5

About N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(N-methylanilino)acetamide

N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(N-methylanilino)acetamide (PubChem CID 94216251) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(N-methylanilino)acetamide.

Molecular Properties

Compound NameN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(N-methylanilino)acetamide
PubChem CID94216251
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(N-methylanilino)acetamide
SMILESCN(CC(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccccc1
InChIInChI=1S/C14H20N2O3S/c1-16(13-5-3-2-4-6-13)10-14(17)15-9-12-7-8-20(18,19)11-12/h2-6,12H,7-11H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyKCRMINKTDMYATQ-GFCCVEGCSA-N
XLogP0.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(N-methylanilino)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

2-[benzhydryl(3-hydroxypropyl)amino]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 86903702
N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylsulfanylacetamide
CID 47156935
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 47156970
3-[4-(dimethylamino)phenyl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
CID 99932600
1-[2-[(1,1-dioxothiolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325127
N-[(1,1-dioxothiolan-3-yl)methyl]-3-(2-methoxyphenoxy)propanamide
CID 71898156
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide
CID 94006317
2-[(3S)-1-benzyl-3-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]acetamide
CID 124865663
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide
CID 61058518
3-(2-bromophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]propanamide
CID 47282656
(E)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-methyl-5-phenylpent-2-enamide
CID 95287712
2-[4-(aminomethyl)phenyl]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 63590687

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(N-methylanilino)acetamide?
The IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(N-methylanilino)acetamide (CID 94216251) is N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(N-methylanilino)acetamide.
What is the SMILES notation for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(N-methylanilino)acetamide?
The canonical SMILES for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(N-methylanilino)acetamide is CN(CC(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccccc1.
What is the InChIKey of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(N-methylanilino)acetamide?
The InChIKey is KCRMINKTDMYATQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-16(13-5-3-2-4-6-13)10-14(17)15-9-12-7-8-20(18,19)11-12/h2-6,12H,7-11H2,1H3,(H,15,17)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(N-methylanilino)acetamide?
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(N-methylanilino)acetamide has a molecular weight of 296.39 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(N-methylanilino)acetamide is sourced from PubChem (CID 94216251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).