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

C13H17NO3S — CID 94784927

IUPAC(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide
SMILESC[C@H](C(=O)Nc1ccc2c(c1)CCC2)S(C)(=O)=O
InChIInChI=1S/C13H17NO3S/c1-9(18(2,16)17)13(15)14-12-7-6-10-4-3-5-11(10)8-12/h6-9H,3-5H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyHVRJBITUJKWWMW-SECBINFHSA-N
MW267.35 g/mol
LogP1.55
Rot. Bonds3

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

(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide (PubChem CID 94784927) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide
PubChem CID94784927
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide
SMILESC[C@H](C(=O)Nc1ccc2c(c1)CCC2)S(C)(=O)=O
InChIInChI=1S/C13H17NO3S/c1-9(18(2,16)17)13(15)14-12-7-6-10-4-3-5-11(10)8-12/h6-9H,3-5H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyHVRJBITUJKWWMW-SECBINFHSA-N
XLogP1.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide
CID 9275055
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 42122346
N-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide
CID 166277072
N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide
CID 115186317
N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide
CID 47160249
3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119678167
(2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide
CID 2572487
(2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 9493976
(2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 9493979
2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid
CID 115185813
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 26726601

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide?
The IUPAC name of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide (CID 94784927) is (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide is C[C@H](C(=O)Nc1ccc2c(c1)CCC2)S(C)(=O)=O.
What is the InChIKey of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide?
The InChIKey is HVRJBITUJKWWMW-SECBINFHSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-9(18(2,16)17)13(15)14-12-7-6-10-4-3-5-11(10)8-12/h6-9H,3-5H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide?
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide has a molecular weight of 267.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 94784927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).