N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide

C14H16N2O3S — CID 61275040

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide
SMILESCC1(NC(=O)c2cccc3[nH]ccc23)CCS(=O)(=O)C1
InChIInChI=1S/C14H16N2O3S/c1-14(6-8-20(18,19)9-14)16-13(17)11-3-2-4-12-10(11)5-7-15-12/h2-5,7,15H,6,8-9H2,1H3,(H,16,17)
InChIKeyMVBNTVBLLFIEKK-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.47
Rot. Bonds2

About N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide

N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide (PubChem CID 61275040) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide
PubChem CID61275040
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide
SMILESCC1(NC(=O)c2cccc3[nH]ccc23)CCS(=O)(=O)C1
InChIInChI=1S/C14H16N2O3S/c1-14(6-8-20(18,19)9-14)16-13(17)11-3-2-4-12-10(11)5-7-15-12/h2-5,7,15H,6,8-9H2,1H3,(H,16,17)
InChIKeyMVBNTVBLLFIEKK-UHFFFAOYSA-N
XLogP1.47
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide
CID 115759557
2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716580
N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214741
2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 107358572
3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307
N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide
CID 115878331
2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716599
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
3-N-(3-methyl-1,1-dioxothiolan-3-yl)benzene-1,3-dicarboxamide
CID 43057320
2-bromo-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-3-carboxamide
CID 106853081
2-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63614767

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide (CID 61275040) is N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide is CC1(NC(=O)c2cccc3[nH]ccc23)CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide?
The InChIKey is MVBNTVBLLFIEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-14(6-8-20(18,19)9-14)16-13(17)11-3-2-4-12-10(11)5-7-15-12/h2-5,7,15H,6,8-9H2,1H3,(H,16,17).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide is sourced from PubChem (CID 61275040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).