N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide

C16H21NO3S — CID 125138754

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCN(C(=O)C1Cc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H21NO3S/c1-2-17(15-7-8-21(19,20)11-15)16(18)14-9-12-5-3-4-6-13(12)10-14/h3-6,14-15H,2,7-11H2,1H3/t15-/m1/s1
InChIKeyJJIPEWOWCFQPDI-OAHLLOKOSA-N
MW307.41 g/mol
LogP1.44
Rot. Bonds3

About N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide

N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 125138754) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID125138754
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCN(C(=O)C1Cc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H21NO3S/c1-2-17(15-7-8-21(19,20)11-15)16(18)14-9-12-5-3-4-6-13(12)10-14/h3-6,14-15H,2,7-11H2,1H3/t15-/m1/s1
InChIKeyJJIPEWOWCFQPDI-OAHLLOKOSA-N
XLogP1.44
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
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N-(1,1-dioxothiolan-3-yl)-N-ethyl-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide (CID 125138754) is N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide is CCN(C(=O)C1Cc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is JJIPEWOWCFQPDI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-2-17(15-7-8-21(19,20)11-15)16(18)14-9-12-5-3-4-6-13(12)10-14/h3-6,14-15H,2,7-11H2,1H3/t15-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 307.41 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 125138754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).