quinolin-1-ium sulfamate

C9H10N2O3S — CID 11680206

IUPACquinolin-1-ium sulfamate
SMILESNS(=O)(=O)[O-].c1ccc2[nH+]cccc2c1
InChIInChI=1S/C9H7N.H3NO3S/c1-2-6-9-8(4-1)5-3-7-10-9;1-5(2,3)4/h1-7H;(H3,1,2,3,4)
InChIKeyWWOIMTOBHGMHBN-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.06
Rot. Bonds

About quinolin-1-ium sulfamate

quinolin-1-ium sulfamate (PubChem CID 11680206) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is quinolin-1-ium sulfamate.

Molecular Properties

Compound Namequinolin-1-ium sulfamate
PubChem CID11680206
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Namequinolin-1-ium sulfamate
SMILESNS(=O)(=O)[O-].c1ccc2[nH+]cccc2c1
InChIInChI=1S/C9H7N.H3NO3S/c1-2-6-9-8(4-1)5-3-7-10-9;1-5(2,3)4/h1-7H;(H3,1,2,3,4)
InChIKeyWWOIMTOBHGMHBN-UHFFFAOYSA-N
XLogP0.06
TPSA97.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methanesulfonate;quinolin-1-ium
CID 11521445
4-methylbenzenesulfonate;quinolin-1-ium
CID 11702180
butanedioate;bis(quinolin-1-ium)
CID 11538076
bis((E)-but-2-enedioic acid);quinolin-1-ium
CID 11602969
bis(quinolin-1-ium-8-ol);sulfate
CID 8639
dipotassium;naphthalene;sulfate
CID 159561982
calcium;naphthalene;sulfate
CID 158920591
lithium quinolin-1-ium-8-ol
CID 166010386
thieno[2,3-b]pyridin-7-ium;trifluoromethanesulfonate
CID 157126773
naphthalene;sulfamic acid
CID 67895351
7-phosphorosoquinolin-1-ium
CID 175349758
bis(phenazin-5-ium);sulfate
CID 19010277

Frequently Asked Questions

What is the IUPAC name of quinolin-1-ium sulfamate?
The IUPAC name of quinolin-1-ium sulfamate (CID 11680206) is quinolin-1-ium sulfamate.
What is the SMILES notation for quinolin-1-ium sulfamate?
The canonical SMILES for quinolin-1-ium sulfamate is NS(=O)(=O)[O-].c1ccc2[nH+]cccc2c1.
What is the InChIKey of quinolin-1-ium sulfamate?
The InChIKey is WWOIMTOBHGMHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.H3NO3S/c1-2-6-9-8(4-1)5-3-7-10-9;1-5(2,3)4/h1-7H;(H3,1,2,3,4).
What are the key properties of quinolin-1-ium sulfamate?
quinolin-1-ium sulfamate has a molecular weight of 226.26 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-1-ium sulfamate is sourced from PubChem (CID 11680206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).