methyl 4-(1,2,3,4-tetrahydronaphthalen-2-ylsulfamoyl)butanoate

C15H21NO4S — CID 62305600

IUPACmethyl 4-(1,2,3,4-tetrahydronaphthalen-2-ylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1CCc2ccccc2C1
InChIInChI=1S/C15H21NO4S/c1-20-15(17)7-4-10-21(18,19)16-14-9-8-12-5-2-3-6-13(12)11-14/h2-3,5-6,14,16H,4,7-11H2,1H3
InChIKeyIEBVTIUXXMTGHD-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.42
Rot. Bonds6

About methyl 4-(1,2,3,4-tetrahydronaphthalen-2-ylsulfamoyl)butanoate

methyl 4-(1,2,3,4-tetrahydronaphthalen-2-ylsulfamoyl)butanoate (PubChem CID 62305600) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is methyl 4-(1,2,3,4-tetrahydronaphthalen-2-ylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(1,2,3,4-tetrahydronaphthalen-2-ylsulfamoyl)butanoate
PubChem CID62305600
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Namemethyl 4-(1,2,3,4-tetrahydronaphthalen-2-ylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1CCc2ccccc2C1
InChIInChI=1S/C15H21NO4S/c1-20-15(17)7-4-10-21(18,19)16-14-9-8-12-5-2-3-6-13(12)11-14/h2-3,5-6,14,16H,4,7-11H2,1H3
InChIKeyIEBVTIUXXMTGHD-UHFFFAOYSA-N
XLogP1.42
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]butanoate
CID 61457605
methyl 4-[methyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanoate
CID 124564597
methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate
CID 171725916
methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate
CID 54952583
7-(butylsulfonylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 140640483
methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate
CID 24832867
methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate
CID 115881165
methyl 4-(oxolan-3-ylsulfamoyl)butanoate
CID 80716402
methyl 4-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]butanoate
CID 115919099
methyl 4-[(3-methylsulfanylcyclopentyl)sulfamoyl]butanoate
CID 103697953
methyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate
CID 61460468
methyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate
CID 94014303

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,2,3,4-tetrahydronaphthalen-2-ylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(1,2,3,4-tetrahydronaphthalen-2-ylsulfamoyl)butanoate (CID 62305600) is methyl 4-(1,2,3,4-tetrahydronaphthalen-2-ylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(1,2,3,4-tetrahydronaphthalen-2-ylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(1,2,3,4-tetrahydronaphthalen-2-ylsulfamoyl)butanoate is COC(=O)CCCS(=O)(=O)NC1CCc2ccccc2C1.
What is the InChIKey of methyl 4-(1,2,3,4-tetrahydronaphthalen-2-ylsulfamoyl)butanoate?
The InChIKey is IEBVTIUXXMTGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-20-15(17)7-4-10-21(18,19)16-14-9-8-12-5-2-3-6-13(12)11-14/h2-3,5-6,14,16H,4,7-11H2,1H3.
What are the key properties of methyl 4-(1,2,3,4-tetrahydronaphthalen-2-ylsulfamoyl)butanoate?
methyl 4-(1,2,3,4-tetrahydronaphthalen-2-ylsulfamoyl)butanoate has a molecular weight of 311.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,2,3,4-tetrahydronaphthalen-2-ylsulfamoyl)butanoate is sourced from PubChem (CID 62305600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).