N-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide

C15H18N2O3S — CID 110852739

IUPACN-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide
SMILESCc1cccc2cc(C(=O)NC3CCS(=O)(=O)C3)n(C)c12
InChIInChI=1S/C15H18N2O3S/c1-10-4-3-5-11-8-13(17(2)14(10)11)15(18)16-12-6-7-21(19,20)9-12/h3-5,8,12H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyYBIBGDPVLSNXSZ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.40
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide (PubChem CID 110852739) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide
PubChem CID110852739
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide
SMILESCc1cccc2cc(C(=O)NC3CCS(=O)(=O)C3)n(C)c12
InChIInChI=1S/C15H18N2O3S/c1-10-4-3-5-11-8-13(17(2)14(10)11)15(18)16-12-6-7-21(19,20)9-12/h3-5,8,12H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyYBIBGDPVLSNXSZ-UHFFFAOYSA-N
XLogP1.40
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-2-methylpyrimidine-4-carboxamide
CID 109372464
7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide
CID 171662965
N-(1,1-dioxothiolan-3-yl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691263
N-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 96556888
N-cyclopropyl-1,4-dimethylindole-2-carboxamide
CID 110847973
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-4-methylbenzamide
CID 43176544
N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide
CID 103749000
N-(1,1-dioxothiolan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110852773
N-(1,1-dioxothiolan-3-yl)cinnoline-3-carboxamide
CID 110705072
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide
CID 95741050
2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide
CID 109098733
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide (CID 110852739) is N-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide is Cc1cccc2cc(C(=O)NC3CCS(=O)(=O)C3)n(C)c12.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide?
The InChIKey is YBIBGDPVLSNXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-4-3-5-11-8-13(17(2)14(10)11)15(18)16-12-6-7-21(19,20)9-12/h3-5,8,12H,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide is sourced from PubChem (CID 110852739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).