1-[methyl(sulfinato)amino]-6-sulfonaphthalene

C11H10NO5S2- — CID 54388084

IUPAC1-[methyl(sulfinato)amino]-6-sulfonaphthalene
SMILESCN(c1cccc2cc(S(=O)(=O)O)ccc12)S(=O)[O-]
InChIInChI=1S/C11H11NO5S2/c1-12(18(13)14)11-4-2-3-8-7-9(19(15,16)17)5-6-10(8)11/h2-7H,1H3,(H,13,14)(H,15,16,17)/p-1
InChIKeyFKRLRWFMIBHUFO-UHFFFAOYSA-M
MW300.34 g/mol
LogP1.32
Rot. Bonds3

About 1-[methyl(sulfinato)amino]-6-sulfonaphthalene

1-[methyl(sulfinato)amino]-6-sulfonaphthalene (PubChem CID 54388084) has the molecular formula C11H10NO5S2- and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-[methyl(sulfinato)amino]-6-sulfonaphthalene.

Molecular Properties

Compound Name1-[methyl(sulfinato)amino]-6-sulfonaphthalene
PubChem CID54388084
Molecular FormulaC11H10NO5S2-
Molecular Weight300.34 g/mol
Exact Mass300.00
IUPAC Name1-[methyl(sulfinato)amino]-6-sulfonaphthalene
SMILESCN(c1cccc2cc(S(=O)(=O)O)ccc12)S(=O)[O-]
InChIInChI=1S/C11H11NO5S2/c1-12(18(13)14)11-4-2-3-8-7-9(19(15,16)17)5-6-10(8)11/h2-7H,1H3,(H,13,14)(H,15,16,17)/p-1
InChIKeyFKRLRWFMIBHUFO-UHFFFAOYSA-M
XLogP1.32
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE
CID 126960168
5-methylsulfanylnaphthalene-2-sulfonic acid
CID 6611028
5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid
CID 174648265
magnesium;5-aminonaphthalene-2-sulfonic acid;hydride
CID 175063134
8-[(6-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid
CID 22833442
5-(methylcarbamoyl)naphthalene-2-sulfonic acid
CID 163232980
10-methoxyanthracene-2-sulfonic acid
CID 18779959
naphthalene-2-sulfonic acid
CID 8420
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]acetic acid
CID 67792983
5-hexylnaphthalene-2-sulfonic acid
CID 101315022
naphthalene-2-sulfonic acid;zinc
CID 87263273

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(sulfinato)amino]-6-sulfonaphthalene?
The IUPAC name of 1-[methyl(sulfinato)amino]-6-sulfonaphthalene (CID 54388084) is 1-[methyl(sulfinato)amino]-6-sulfonaphthalene.
What is the SMILES notation for 1-[methyl(sulfinato)amino]-6-sulfonaphthalene?
The canonical SMILES for 1-[methyl(sulfinato)amino]-6-sulfonaphthalene is CN(c1cccc2cc(S(=O)(=O)O)ccc12)S(=O)[O-].
What is the InChIKey of 1-[methyl(sulfinato)amino]-6-sulfonaphthalene?
The InChIKey is FKRLRWFMIBHUFO-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11NO5S2/c1-12(18(13)14)11-4-2-3-8-7-9(19(15,16)17)5-6-10(8)11/h2-7H,1H3,(H,13,14)(H,15,16,17)/p-1.
What are the key properties of 1-[methyl(sulfinato)amino]-6-sulfonaphthalene?
1-[methyl(sulfinato)amino]-6-sulfonaphthalene has a molecular weight of 300.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(sulfinato)amino]-6-sulfonaphthalene is sourced from PubChem (CID 54388084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).