methyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate

C17H23NO4S — CID 39912433

IUPACmethyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate
SMILESCOC(=O)CCCCCNS(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C17H23NO4S/c1-22-17(19)9-3-2-6-12-18-23(20,21)16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,13,18H,2-3,6,9-12H2,1H3
InChIKeyJGSKZPGJQDVNFC-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.63
Rot. Bonds8

About methyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate

methyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate (PubChem CID 39912433) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is methyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate
PubChem CID39912433
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Namemethyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate
SMILESCOC(=O)CCCCCNS(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C17H23NO4S/c1-22-17(19)9-3-2-6-12-18-23(20,21)16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,13,18H,2-3,6,9-12H2,1H3
InChIKeyJGSKZPGJQDVNFC-UHFFFAOYSA-N
XLogP2.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 7-(benzenesulfonamido)heptanoate
CID 31847638
methyl 2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]acetate
CID 52599748
methyl 6-(thiophen-2-ylsulfonylamino)hexanoate
CID 43404961
methyl 7-(pyridin-3-ylsulfonylamino)heptanoate
CID 87038191
methyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate
CID 17465245
methyl 6-[(3,5-difluorophenyl)sulfonylamino]hexanoate
CID 43409144
methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate
CID 171725916
methyl 6-[(2-bromo-4-methylphenyl)sulfonylamino]hexanoate
CID 43423584
methyl 6-[(2-cyano-3-pyridinyl)sulfonylamino]hexanoate
CID 106545225
methyl 6-[(1-methylimidazol-4-yl)sulfonylamino]hexanoate
CID 62374971
methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate
CID 43405598
methyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate
CID 46594227

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate?
The IUPAC name of methyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate (CID 39912433) is methyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate.
What is the SMILES notation for methyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate?
The canonical SMILES for methyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate is COC(=O)CCCCCNS(=O)(=O)C1=Cc2ccccc2CC1.
What is the InChIKey of methyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate?
The InChIKey is JGSKZPGJQDVNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4S/c1-22-17(19)9-3-2-6-12-18-23(20,21)16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,13,18H,2-3,6,9-12H2,1H3.
What are the key properties of methyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate?
methyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate has a molecular weight of 337.44 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate is sourced from PubChem (CID 39912433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).