N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide

C13H17NO3S — CID 47160249

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C13H17NO3S/c1-18(16,17)8-7-13(15)14-12-6-5-10-3-2-4-11(10)9-12/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyCENPOEMHGIFWBJ-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.55
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide

N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide (PubChem CID 47160249) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide
PubChem CID47160249
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C13H17NO3S/c1-18(16,17)8-7-13(15)14-12-6-5-10-3-2-4-11(10)9-12/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyCENPOEMHGIFWBJ-UHFFFAOYSA-N
XLogP1.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide
CID 110623308
N-(2,3-dihydro-1H-inden-5-yl)-5-hydroxypentanamide
CID 79199175
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide
CID 110623335
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide
CID 60849517
7-amino-N-(2,3-dihydro-1H-inden-5-yl)heptanamide
CID 24700487
N-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanamide
CID 4239191
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771735
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771738
4-amino-4-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanamide
CID 115157489
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide
CID 94784927

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide (CID 47160249) is N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide?
The InChIKey is CENPOEMHGIFWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-18(16,17)8-7-13(15)14-12-6-5-10-3-2-4-11(10)9-12/h5-6,9H,2-4,7-8H2,1H3,(H,14,15).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide has a molecular weight of 267.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 47160249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).