[(5-methoxynaphthalene-2-carbonyl)-methylamino] methanesulfonate

C14H15NO5S — CID 129224202

IUPAC[(5-methoxynaphthalene-2-carbonyl)-methylamino] methanesulfonate
SMILESCOc1cccc2cc(C(=O)N(C)OS(C)(=O)=O)ccc12
InChIInChI=1S/C14H15NO5S/c1-15(20-21(3,17)18)14(16)11-7-8-12-10(9-11)5-4-6-13(12)19-2/h4-9H,1-3H3
InChIKeyXNILYEBHUNHIJQ-UHFFFAOYSA-N
MW309.34 g/mol
LogP1.81
Rot. Bonds4

About [(5-methoxynaphthalene-2-carbonyl)-methylamino] methanesulfonate

[(5-methoxynaphthalene-2-carbonyl)-methylamino] methanesulfonate (PubChem CID 129224202) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is [(5-methoxynaphthalene-2-carbonyl)-methylamino] methanesulfonate.

Molecular Properties

Compound Name[(5-methoxynaphthalene-2-carbonyl)-methylamino] methanesulfonate
PubChem CID129224202
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name[(5-methoxynaphthalene-2-carbonyl)-methylamino] methanesulfonate
SMILESCOc1cccc2cc(C(=O)N(C)OS(C)(=O)=O)ccc12
InChIInChI=1S/C14H15NO5S/c1-15(20-21(3,17)18)14(16)11-7-8-12-10(9-11)5-4-6-13(12)19-2/h4-9H,1-3H3
InChIKeyXNILYEBHUNHIJQ-UHFFFAOYSA-N
XLogP1.81
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3,5-dimethoxynaphthalene-2-carbonyl)-methylamino] propane-1-sulfonate
CID 130318795
5-methoxy-N-methyl-N-propan-2-ylnaphthalen-2-amine
CID 126610841
tert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate
CID 141432303
(2,6-dimethoxyphenyl) N,N-dimethylsulfamate
CID 177459902
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
dimethyl naphthalene-1,6-dicarboxylate
CID 11459190
N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylamino)-N-methylsulfonylbenzamide
CID 3684406
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methoxynaphthalene-2-carboxamide
CID 10286402
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18112138
2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 113094497
N,N-bis(4-methoxyphenyl)naphthalene-2-carboxamide
CID 129035097
[methyl(naphthalene-2-carbonyl)amino] acetate
CID 59280990

Frequently Asked Questions

What is the IUPAC name of [(5-methoxynaphthalene-2-carbonyl)-methylamino] methanesulfonate?
The IUPAC name of [(5-methoxynaphthalene-2-carbonyl)-methylamino] methanesulfonate (CID 129224202) is [(5-methoxynaphthalene-2-carbonyl)-methylamino] methanesulfonate.
What is the SMILES notation for [(5-methoxynaphthalene-2-carbonyl)-methylamino] methanesulfonate?
The canonical SMILES for [(5-methoxynaphthalene-2-carbonyl)-methylamino] methanesulfonate is COc1cccc2cc(C(=O)N(C)OS(C)(=O)=O)ccc12.
What is the InChIKey of [(5-methoxynaphthalene-2-carbonyl)-methylamino] methanesulfonate?
The InChIKey is XNILYEBHUNHIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S/c1-15(20-21(3,17)18)14(16)11-7-8-12-10(9-11)5-4-6-13(12)19-2/h4-9H,1-3H3.
What are the key properties of [(5-methoxynaphthalene-2-carbonyl)-methylamino] methanesulfonate?
[(5-methoxynaphthalene-2-carbonyl)-methylamino] methanesulfonate has a molecular weight of 309.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-methoxynaphthalene-2-carbonyl)-methylamino] methanesulfonate is sourced from PubChem (CID 129224202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).