ethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate

C13H14N2O4S — CID 174606445

IUPACethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C13H14N2O4S/c1-2-19-13(16)15-20(17,18)12-8-7-11(14)9-5-3-4-6-10(9)12/h3-8H,2,14H2,1H3,(H,15,16)
InChIKeyRCPXQTAVUIEWAS-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.86
Rot. Bonds3

About ethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate

ethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate (PubChem CID 174606445) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is ethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate
PubChem CID174606445
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Nameethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C13H14N2O4S/c1-2-19-13(16)15-20(17,18)12-8-7-11(14)9-5-3-4-6-10(9)12/h3-8H,2,14H2,1H3,(H,15,16)
InChIKeyRCPXQTAVUIEWAS-UHFFFAOYSA-N
XLogP1.86
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3S,4R)-4-[(4-aminonaphthalen-1-yl)sulfonylamino]-3-methylpiperidine-1-carboxylate
CID 66997930
4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide
CID 104762860
ethyl N-(4-fluorophenyl)sulfonylcarbamate
CID 19693765
2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid
CID 68798786
ethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate
CID 114461695
4-aminonaphthalene-1-sulfonic acid
CID 6790
4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide
CID 115944465
2-[[2-[(4-aminonaphthalen-1-yl)sulfonylamino]acetyl]amino]acetic acid
CID 67920315
4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
CID 112594590
2-[(4-aminonaphthalen-1-yl)sulfonylamino]pentanedioic acid
CID 68818458
4-amino-N-(2,2-dimethylcyclopropyl)naphthalene-1-sulfonamide
CID 115944462
4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide
CID 115944450

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate?
The IUPAC name of ethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate (CID 174606445) is ethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate.
What is the SMILES notation for ethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate?
The canonical SMILES for ethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate is CCOC(=O)NS(=O)(=O)c1ccc(N)c2ccccc12.
What is the InChIKey of ethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate?
The InChIKey is RCPXQTAVUIEWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-2-19-13(16)15-20(17,18)12-8-7-11(14)9-5-3-4-6-10(9)12/h3-8H,2,14H2,1H3,(H,15,16).
What are the key properties of ethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate?
ethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate has a molecular weight of 294.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate is sourced from PubChem (CID 174606445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).