N-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide

C13H16N2O3S — CID 166277072

IUPACN-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide
SMILESCS(C)(=O)=NC(=O)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C13H16N2O3S/c1-19(2,18)15-13(17)12(16)14-11-7-6-9-4-3-5-10(9)8-11/h6-8H,3-5H2,1-2H3,(H,14,16)
InChIKeyZDDSLJCYZWJXGZ-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.37
Rot. Bonds1

About N-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide

N-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide (PubChem CID 166277072) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide
PubChem CID166277072
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide
SMILESCS(C)(=O)=NC(=O)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C13H16N2O3S/c1-19(2,18)15-13(17)12(16)14-11-7-6-9-4-3-5-10(9)8-11/h6-8H,3-5H2,1-2H3,(H,14,16)
InChIKeyZDDSLJCYZWJXGZ-UHFFFAOYSA-N
XLogP1.37
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide
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4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 141069790
N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
CID 115165888
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(methanesulfonamido)propyl]guanidine;hydroiodide
CID 111063702
1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one
CID 115234414
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylsulfonylcyclopropyl)methyl]guanidine
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1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea
CID 17250078

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide (CID 166277072) is N-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide is CS(C)(=O)=NC(=O)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide?
The InChIKey is ZDDSLJCYZWJXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-19(2,18)15-13(17)12(16)14-11-7-6-9-4-3-5-10(9)8-11/h6-8H,3-5H2,1-2H3,(H,14,16).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide?
N-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide has a molecular weight of 280.35 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide is sourced from PubChem (CID 166277072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).