2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid

C14H19NO4S — CID 61455331

IUPAC2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(C)C1CCCc2ccccc21
InChIInChI=1S/C14H19NO4S/c1-10(14(16)17)20(18,19)15(2)13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,10,13H,5,7,9H2,1-2H3,(H,16,17)
InChIKeyZJLAKEGZBHKOPQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.80
Rot. Bonds4

About 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid

2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid (PubChem CID 61455331) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid
PubChem CID61455331
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(C)C1CCCc2ccccc21
InChIInChI=1S/C14H19NO4S/c1-10(14(16)17)20(18,19)15(2)13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,10,13H,5,7,9H2,1-2H3,(H,16,17)
InChIKeyZJLAKEGZBHKOPQ-UHFFFAOYSA-N
XLogP1.80
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 54980190
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
4-(difluoromethylsulfonyl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 34041667
4-hydroxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 79200379
2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid
CID 65056941
3-methyl-5-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-5-oxopentanoic acid
CID 62966289
N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 42896930
2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064011
N-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 915645
N-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 3756805
4-fluoro-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301214
2-bromo-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301292

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid (CID 61455331) is 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)N(C)C1CCCc2ccccc21.
What is the InChIKey of 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid?
The InChIKey is ZJLAKEGZBHKOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10(14(16)17)20(18,19)15(2)13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,10,13H,5,7,9H2,1-2H3,(H,16,17).
What are the key properties of 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid?
2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid has a molecular weight of 297.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61455331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).