2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid

C14H19NO4S — CID 62676412

IUPAC2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid
SMILESCC(CNS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C14H19NO4S/c1-10(14(16)17)9-15-20(18,19)13-7-6-11-4-2-3-5-12(11)8-13/h6-8,10,15H,2-5,9H2,1H3,(H,16,17)
InChIKeyABWHGNWCSFALKR-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.56
Rot. Bonds5

About 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid

2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid (PubChem CID 62676412) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid
PubChem CID62676412
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid
SMILESCC(CNS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C14H19NO4S/c1-10(14(16)17)9-15-20(18,19)13-7-6-11-4-2-3-5-12(11)8-13/h6-8,10,15H,2-5,9H2,1H3,(H,16,17)
InChIKeyABWHGNWCSFALKR-UHFFFAOYSA-N
XLogP1.56
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminopropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 55230484
N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001353
N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 112990740
(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid
CID 79009391
2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid
CID 43631170
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid
CID 104934811
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide
CID 107258346
methyl 2-bromo-3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 103493750
methyl 2-chloro-3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 103493556
N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 107158218
1-(2-methylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)urea
CID 163760094
CID 89275024
CID 89275024

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid (CID 62676412) is 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid is CC(CNS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)O.
What is the InChIKey of 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid?
The InChIKey is ABWHGNWCSFALKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10(14(16)17)9-15-20(18,19)13-7-6-11-4-2-3-5-12(11)8-13/h6-8,10,15H,2-5,9H2,1H3,(H,16,17).
What are the key properties of 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid?
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid has a molecular weight of 297.38 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 62676412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).