2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide

C15H22N2O3S — CID 43579578

IUPAC2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide
SMILESCN(C(=O)C(N)CCS(C)(=O)=O)C1CCc2ccccc21
InChIInChI=1S/C15H22N2O3S/c1-17(15(18)13(16)9-10-21(2,19)20)14-8-7-11-5-3-4-6-12(11)14/h3-6,13-14H,7-10,16H2,1-2H3
InChIKeyFQYLTQONQDFVJW-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.89
Rot. Bonds5

About 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide

2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide (PubChem CID 43579578) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide
PubChem CID43579578
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide
SMILESCN(C(=O)C(N)CCS(C)(=O)=O)C1CCc2ccccc21
InChIInChI=1S/C15H22N2O3S/c1-17(15(18)13(16)9-10-21(2,19)20)14-8-7-11-5-3-4-6-12(11)14/h3-6,13-14H,7-10,16H2,1-2H3
InChIKeyFQYLTQONQDFVJW-UHFFFAOYSA-N
XLogP0.89
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbutanamide
CID 79011570
(2R)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,3,3-trimethylbutanamide
CID 103928520
2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
CID 62855378
3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
CID 60837017
(2S)-2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 54980190
N-(2,3-dihydro-1H-inden-1-yl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79195999
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide
CID 25493349
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide
CID 47175434
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289811
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3,3-diphenylpropanamide
CID 42941217
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43575493
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide (CID 43579578) is 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide is CN(C(=O)C(N)CCS(C)(=O)=O)C1CCc2ccccc21.
What is the InChIKey of 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide?
The InChIKey is FQYLTQONQDFVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-17(15(18)13(16)9-10-21(2,19)20)14-8-7-11-5-3-4-6-12(11)14/h3-6,13-14H,7-10,16H2,1-2H3.
What are the key properties of 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide?
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide has a molecular weight of 310.42 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide is sourced from PubChem (CID 43579578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).