N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide

C14H18N2O3S — CID 103998184

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC1(NC(=O)c2ccc3c(c2)CNC3)CCS(=O)(=O)C1
InChIInChI=1S/C14H18N2O3S/c1-14(4-5-20(18,19)9-14)16-13(17)10-2-3-11-7-15-8-12(11)6-10/h2-3,6,15H,4-5,7-9H2,1H3,(H,16,17)
InChIKeyWBGDTNGFCHRDCU-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.60
Rot. Bonds2

About N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide

N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998184) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998184
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC1(NC(=O)c2ccc3c(c2)CNC3)CCS(=O)(=O)C1
InChIInChI=1S/C14H18N2O3S/c1-14(4-5-20(18,19)9-14)16-13(17)10-2-3-11-7-15-8-12(11)6-10/h2-3,6,15H,4-5,7-9H2,1H3,(H,16,17)
InChIKeyWBGDTNGFCHRDCU-UHFFFAOYSA-N
XLogP0.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712167
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 103951728
3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 103998216
3-N-(3-methyl-1,1-dioxothiolan-3-yl)benzene-1,3-dicarboxamide
CID 43057320
4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 63211713
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-methylsulfanylbenzamide
CID 30415077
2-N,4-N-bis(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2,4-dicarboxamide
CID 166181280
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
(2R)-2-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51923439
3-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-nitrobenzamide
CID 62681284

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998184) is N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide is CC1(NC(=O)c2ccc3c(c2)CNC3)CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is WBGDTNGFCHRDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-14(4-5-20(18,19)9-14)16-13(17)10-2-3-11-7-15-8-12(11)6-10/h2-3,6,15H,4-5,7-9H2,1H3,(H,16,17).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).