2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide

C13H18N2OS — CID 63033798

IUPAC2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide
SMILESNC(=O)C(N)CCSc1ccc2c(c1)CCC2
InChIInChI=1S/C13H18N2OS/c14-12(13(15)16)6-7-17-11-5-4-9-2-1-3-10(9)8-11/h4-5,8,12H,1-3,6-7,14H2,(H2,15,16)
InChIKeyWRJCGGUMISUDDW-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.47
Rot. Bonds5

About 2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide

2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide (PubChem CID 63033798) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide.

Molecular Properties

Compound Name2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide
PubChem CID63033798
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide
SMILESNC(=O)C(N)CCSc1ccc2c(c1)CCC2
InChIInChI=1S/C13H18N2OS/c14-12(13(15)16)6-7-17-11-5-4-9-2-1-3-10(9)8-11/h4-5,8,12H,1-3,6-7,14H2,(H2,15,16)
InChIKeyWRJCGGUMISUDDW-UHFFFAOYSA-N
XLogP1.47
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanoate
CID 63034861
5-(2,3-dihydro-1H-inden-5-ylsulfanyl)pentan-2-one
CID 43425970
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)hexan-3-one
CID 104623542
2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)ethanethiol
CID 117033721
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
CID 106933303
5-(4-chlorobutylsulfanyl)-2,3-dihydro-1H-indene
CID 63499850
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide
CID 60652446
N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 60652410
(2R)-2-amino-N-(2,3-dihydro-1H-inden-5-yl)-4-methylsulfanylbutanamide
CID 104906781
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone
CID 60652389
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine
CID 113449492

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide?
The IUPAC name of 2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide (CID 63033798) is 2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide.
What is the SMILES notation for 2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide?
The canonical SMILES for 2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide is NC(=O)C(N)CCSc1ccc2c(c1)CCC2.
What is the InChIKey of 2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide?
The InChIKey is WRJCGGUMISUDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c14-12(13(15)16)6-7-17-11-5-4-9-2-1-3-10(9)8-11/h4-5,8,12H,1-3,6-7,14H2,(H2,15,16).
What are the key properties of 2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide?
2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide has a molecular weight of 250.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide is sourced from PubChem (CID 63033798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).