N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide

C14H20N2O3S — CID 110348973

IUPACN-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide
SMILESCC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCc2ccccc21
InChIInChI=1S/C14H20N2O3S/c1-10(2)13(15-20(3,18)19)14(17)16-9-8-11-6-4-5-7-12(11)16/h4-7,10,13,15H,8-9H2,1-3H3/t13-/m0/s1
InChIKeyYZKIZIMBLNNHRR-ZDUSSCGKSA-N
MW296.39 g/mol
LogP1.15
Rot. Bonds4

About N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide

N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide (PubChem CID 110348973) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide
PubChem CID110348973
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide
SMILESCC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCc2ccccc21
InChIInChI=1S/C14H20N2O3S/c1-10(2)13(15-20(3,18)19)14(17)16-9-8-11-6-4-5-7-12(11)16/h4-7,10,13,15H,8-9H2,1-3H3/t13-/m0/s1
InChIKeyYZKIZIMBLNNHRR-ZDUSSCGKSA-N
XLogP1.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-3-methylbenzenesulfonamide
CID 110348988
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-2-methylpropanamide
CID 110348935
phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 110348968
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
1-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-3-(3-methylbutyl)urea
CID 46383410
1-cyclohexyl-3-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea
CID 92881427
(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide
CID 110348158
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 2125179
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
1-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 92881373
N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]propane-1-sulfonamide
CID 110351767

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide (CID 110348973) is N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide is CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCc2ccccc21.
What is the InChIKey of N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide?
The InChIKey is YZKIZIMBLNNHRR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(2)13(15-20(3,18)19)14(17)16-9-8-11-6-4-5-7-12(11)16/h4-7,10,13,15H,8-9H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide?
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide is sourced from PubChem (CID 110348973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).