(6-aminonaphthalen-2-yl) methanesulfonate

C11H11NO3S — CID 54353841

IUPAC(6-aminonaphthalen-2-yl) methanesulfonate
SMILESCS(=O)(=O)Oc1ccc2cc(N)ccc2c1
InChIInChI=1S/C11H11NO3S/c1-16(13,14)15-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7H,12H2,1H3
InChIKeyUHRXINKIUBEOBK-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.76
Rot. Bonds2

About (6-aminonaphthalen-2-yl) methanesulfonate

(6-aminonaphthalen-2-yl) methanesulfonate (PubChem CID 54353841) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is (6-aminonaphthalen-2-yl) methanesulfonate.

Molecular Properties

Compound Name(6-aminonaphthalen-2-yl) methanesulfonate
PubChem CID54353841
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name(6-aminonaphthalen-2-yl) methanesulfonate
SMILESCS(=O)(=O)Oc1ccc2cc(N)ccc2c1
InChIInChI=1S/C11H11NO3S/c1-16(13,14)15-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7H,12H2,1H3
InChIKeyUHRXINKIUBEOBK-UHFFFAOYSA-N
XLogP1.76
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

8-Amino-2-naphthalenol
CID 8358
7-Amino-2-naphthalenol
CID 66732
7-Amino-1-naphthol
CID 40116
3-Amino-2-naphthol
CID 79449
6-Amino-2-naphthalenol
CID 428605
N-[4-(5-Hydroxy-2-naphthyl)phenyl]methanesulfonamide
CID 53325844
N-(4-hydroxynaphthalen-1-yl)methanesulfonamide
CID 7574135
1-Amino-2-naphthyl sulfate
CID 146011
N-(4'-hydroxybiphenyl-4-yl)-methanesulfonamide
CID 23508371
7-Amino-2-naphthol hydrochloride
CID 19986891
1-Naphthalenesulfonic acid, 7-amino-3-hydroxy-
CID 66583
N-[3-(5-hydroxynaphthalen-2-yl)phenyl]methanesulfonamide
CID 53323179

Frequently Asked Questions

What is the IUPAC name of (6-aminonaphthalen-2-yl) methanesulfonate?
The IUPAC name of (6-aminonaphthalen-2-yl) methanesulfonate (CID 54353841) is (6-aminonaphthalen-2-yl) methanesulfonate.
What is the SMILES notation for (6-aminonaphthalen-2-yl) methanesulfonate?
The canonical SMILES for (6-aminonaphthalen-2-yl) methanesulfonate is CS(=O)(=O)Oc1ccc2cc(N)ccc2c1.
What is the InChIKey of (6-aminonaphthalen-2-yl) methanesulfonate?
The InChIKey is UHRXINKIUBEOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-16(13,14)15-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7H,12H2,1H3.
What are the key properties of (6-aminonaphthalen-2-yl) methanesulfonate?
(6-aminonaphthalen-2-yl) methanesulfonate has a molecular weight of 237.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-aminonaphthalen-2-yl) methanesulfonate is sourced from PubChem (CID 54353841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).