N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide

C10H11NO3S — CID 115167015

IUPACN-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide
SMILESCN(C(=O)CS)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H11NO3S/c1-11(10(12)5-15)7-2-3-8-9(4-7)14-6-13-8/h2-4,15H,5-6H2,1H3
InChIKeyYDTMBXZVKHNOMT-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.31
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide

N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide (PubChem CID 115167015) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide
PubChem CID115167015
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide
SMILESCN(C(=O)CS)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H11NO3S/c1-11(10(12)5-15)7-2-3-8-9(4-7)14-6-13-8/h2-4,15H,5-6H2,1H3
InChIKeyYDTMBXZVKHNOMT-UHFFFAOYSA-N
XLogP1.31
TPSA38.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide 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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-2-sulfanylacetamide
CID 115167016
N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide
CID 69228367
N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide
CID 115157761
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-sulfanylpropanamide
CID 115167712
2-amino-4-[1,3-benzodioxol-5-yl(methyl)amino]-4-oxobutanoic acid
CID 115181007
N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide
CID 110752658
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 28794596
1,3-bis(1,3-benzodioxol-5-yl)-1-methylurea
CID 167788947
3-[1,3-benzodioxol-5-yl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 115164184
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylacetamide
CID 82496768
4-[1,3-benzodioxol-5-yl(methyl)amino]-3-methyl-4-oxobutanoic acid
CID 115164520
2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide
CID 17310206

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide (CID 115167015) is N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide is CN(C(=O)CS)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide?
The InChIKey is YDTMBXZVKHNOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-11(10(12)5-15)7-2-3-8-9(4-7)14-6-13-8/h2-4,15H,5-6H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide?
N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide has a molecular weight of 225.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide is sourced from PubChem (CID 115167015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).