N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide

C14H20N2O3S — CID 110784036

IUPACN-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C14H20N2O3S/c1-4-7-20(18,19)15-9-10-5-6-12-11(8-10)14(2,3)13(17)16-12/h5-6,8,15H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyIWMOCMSPSRMVNU-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.75
Rot. Bonds5

About N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide

N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide (PubChem CID 110784036) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide
PubChem CID110784036
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C14H20N2O3S/c1-4-7-20(18,19)15-9-10-5-6-12-11(8-10)14(2,3)13(17)16-12/h5-6,8,15H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyIWMOCMSPSRMVNU-UHFFFAOYSA-N
XLogP1.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(bromomethyl)-3,3-dimethyl-1H-indol-2-one
CID 80500983
N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide
CID 110784021
N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]propane-1-sulfonamide
CID 110783827
5-[4-(ethylamino)butyl]-3,3-dimethyl-1H-indol-2-one
CID 98017086
5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 117332888
5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one
CID 82190459
3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one
CID 82484806
3,3-dimethyl-5-[4-(methylamino)butyl]-1H-indol-2-one
CID 96662884
5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
CID 116997019
N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 56687358
N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384490
N-[(4-methylsulfonylphenyl)methyl]propane-1-sulfonamide
CID 47387345

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide (CID 110784036) is N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide?
The InChIKey is IWMOCMSPSRMVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-4-7-20(18,19)15-9-10-5-6-12-11(8-10)14(2,3)13(17)16-12/h5-6,8,15H,4,7,9H2,1-3H3,(H,16,17).
What are the key properties of N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide?
N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 110784036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).