N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide

C15H20N2O3S — CID 60939133

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)CCN2)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H20N2O3S/c1-2-17(13-6-8-21(19,20)10-13)15(18)12-3-4-14-11(9-12)5-7-16-14/h3-4,9,13,16H,2,5-8,10H2,1H3
InChIKeyJQWQKCXNEFNWAU-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.30
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 60939133) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID60939133
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)CCN2)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H20N2O3S/c1-2-17(13-6-8-21(19,20)10-13)15(18)12-3-4-14-11(9-12)5-7-16-14/h3-4,9,13,16H,2,5-8,10H2,1H3
InChIKeyJQWQKCXNEFNWAU-UHFFFAOYSA-N
XLogP1.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-fluorobenzamide
CID 61112481
2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-4-carboxamide
CID 110853810
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
CID 7259739
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 18573581
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763777
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 52528292
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766519
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide
CID 18155646
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046113
3-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 43346859
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-oxopyran-3-carboxamide
CID 110697481

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide (CID 60939133) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide is CCN(C(=O)c1ccc2c(c1)CCN2)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is JQWQKCXNEFNWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-2-17(13-6-8-21(19,20)10-13)15(18)12-3-4-14-11(9-12)5-7-16-14/h3-4,9,13,16H,2,5-8,10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.30, 3 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)-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 60939133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).