3-amino-1-(2,3-dihydro-1H-inden-5-yl)-5-methylsulfonylpentan-2-one

C15H21NO3S — CID 116552065

IUPAC3-amino-1-(2,3-dihydro-1H-inden-5-yl)-5-methylsulfonylpentan-2-one
SMILESCS(=O)(=O)CCC(N)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NO3S/c1-20(18,19)8-7-14(16)15(17)10-11-5-6-12-3-2-4-13(12)9-11/h5-6,9,14H,2-4,7-8,10,16H2,1H3
InChIKeyMNBCXUPUWZLXGG-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.05
Rot. Bonds6

About 3-amino-1-(2,3-dihydro-1H-inden-5-yl)-5-methylsulfonylpentan-2-one

3-amino-1-(2,3-dihydro-1H-inden-5-yl)-5-methylsulfonylpentan-2-one (PubChem CID 116552065) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 3-amino-1-(2,3-dihydro-1H-inden-5-yl)-5-methylsulfonylpentan-2-one.

Molecular Properties

Compound Name3-amino-1-(2,3-dihydro-1H-inden-5-yl)-5-methylsulfonylpentan-2-one
PubChem CID116552065
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name3-amino-1-(2,3-dihydro-1H-inden-5-yl)-5-methylsulfonylpentan-2-one
SMILESCS(=O)(=O)CCC(N)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NO3S/c1-20(18,19)8-7-14(16)15(17)10-11-5-6-12-3-2-4-13(12)9-11/h5-6,9,14H,2-4,7-8,10,16H2,1H3
InChIKeyMNBCXUPUWZLXGG-UHFFFAOYSA-N
XLogP1.05
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
3-amino-5-methylsulfonyl-1-(2,4,6-trimethylphenyl)pentan-2-one
CID 116552052
3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one
CID 116560239
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
CID 82115674
N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60545524
1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1-hydroxypropan-2-one
CID 103457560
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110804573
4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one
CID 116581175
N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide
CID 47160249
4-amino-2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 65298814

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dihydro-1H-inden-5-yl)-5-methylsulfonylpentan-2-one?
The IUPAC name of 3-amino-1-(2,3-dihydro-1H-inden-5-yl)-5-methylsulfonylpentan-2-one (CID 116552065) is 3-amino-1-(2,3-dihydro-1H-inden-5-yl)-5-methylsulfonylpentan-2-one.
What is the SMILES notation for 3-amino-1-(2,3-dihydro-1H-inden-5-yl)-5-methylsulfonylpentan-2-one?
The canonical SMILES for 3-amino-1-(2,3-dihydro-1H-inden-5-yl)-5-methylsulfonylpentan-2-one is CS(=O)(=O)CCC(N)C(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 3-amino-1-(2,3-dihydro-1H-inden-5-yl)-5-methylsulfonylpentan-2-one?
The InChIKey is MNBCXUPUWZLXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-20(18,19)8-7-14(16)15(17)10-11-5-6-12-3-2-4-13(12)9-11/h5-6,9,14H,2-4,7-8,10,16H2,1H3.
What are the key properties of 3-amino-1-(2,3-dihydro-1H-inden-5-yl)-5-methylsulfonylpentan-2-one?
3-amino-1-(2,3-dihydro-1H-inden-5-yl)-5-methylsulfonylpentan-2-one has a molecular weight of 295.40 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dihydro-1H-inden-5-yl)-5-methylsulfonylpentan-2-one is sourced from PubChem (CID 116552065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).