N-(2,3-dihydro-1H-inden-5-yl)-N'-methyl-N'-[(3R)-thiolan-3-yl]oxamide

C16H20N2O2S — CID 99617089

IUPACN-(2,3-dihydro-1H-inden-5-yl)-N'-methyl-N'-[(3R)-thiolan-3-yl]oxamide
SMILESCN(C(=O)C(=O)Nc1ccc2c(c1)CCC2)[C@@H]1CCSC1
InChIInChI=1S/C16H20N2O2S/c1-18(14-7-8-21-10-14)16(20)15(19)17-13-6-5-11-3-2-4-12(11)9-13/h5-6,9,14H,2-4,7-8,10H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyIJQWKUMSFQOTAE-CQSZACIVSA-N
MW304.42 g/mol
LogP2.08
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)-N'-methyl-N'-[(3R)-thiolan-3-yl]oxamide

N-(2,3-dihydro-1H-inden-5-yl)-N'-methyl-N'-[(3R)-thiolan-3-yl]oxamide (PubChem CID 99617089) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-N'-methyl-N'-[(3R)-thiolan-3-yl]oxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-N'-methyl-N'-[(3R)-thiolan-3-yl]oxamide
PubChem CID99617089
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-N'-methyl-N'-[(3R)-thiolan-3-yl]oxamide
SMILESCN(C(=O)C(=O)Nc1ccc2c(c1)CCC2)[C@@H]1CCSC1
InChIInChI=1S/C16H20N2O2S/c1-18(14-7-8-21-10-14)16(20)15(19)17-13-6-5-11-3-2-4-12(11)9-13/h5-6,9,14H,2-4,7-8,10H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyIJQWKUMSFQOTAE-CQSZACIVSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N'-methyl-N'-[(3R)-thiolan-3-yl]oxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N'-methyl-N'-[(3R)-thiolan-3-yl]oxamide (CID 99617089) is N-(2,3-dihydro-1H-inden-5-yl)-N'-methyl-N'-[(3R)-thiolan-3-yl]oxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-N'-methyl-N'-[(3R)-thiolan-3-yl]oxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-N'-methyl-N'-[(3R)-thiolan-3-yl]oxamide is CN(C(=O)C(=O)Nc1ccc2c(c1)CCC2)[C@@H]1CCSC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-N'-methyl-N'-[(3R)-thiolan-3-yl]oxamide?
The InChIKey is IJQWKUMSFQOTAE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-18(14-7-8-21-10-14)16(20)15(19)17-13-6-5-11-3-2-4-12(11)9-13/h5-6,9,14H,2-4,7-8,10H2,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-N'-methyl-N'-[(3R)-thiolan-3-yl]oxamide?
N-(2,3-dihydro-1H-inden-5-yl)-N'-methyl-N'-[(3R)-thiolan-3-yl]oxamide has a molecular weight of 304.42 g/mol, XLogP of 2.08, 2 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'-methyl-N'-[(3R)-thiolan-3-yl]oxamide is sourced from PubChem (CID 99617089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).