pyridin-3-yl sulfamate

C5H6N2O3S — CID 130625844

IUPACpyridin-3-yl sulfamate
SMILESNS(=O)(=O)Oc1cccnc1
InChIInChI=1S/C5H6N2O3S/c6-11(8,9)10-5-2-1-3-7-4-5/h1-4H,(H2,6,8,9)
InChIKeyJDVVPRKRSOHXQI-UHFFFAOYSA-N
MW174.18 g/mol
LogP-0.34
Rot. Bonds2

About pyridin-3-yl sulfamate

pyridin-3-yl sulfamate (PubChem CID 130625844) has the molecular formula C5H6N2O3S and a molecular weight of 174.18 g/mol. Its IUPAC name is pyridin-3-yl sulfamate.

Molecular Properties

Compound Namepyridin-3-yl sulfamate
PubChem CID130625844
Molecular FormulaC5H6N2O3S
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Namepyridin-3-yl sulfamate
SMILESNS(=O)(=O)Oc1cccnc1
InChIInChI=1S/C5H6N2O3S/c6-11(8,9)10-5-2-1-3-7-4-5/h1-4H,(H2,6,8,9)
InChIKeyJDVVPRKRSOHXQI-UHFFFAOYSA-N
XLogP-0.34
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-3-yl propane-2-sulfonate
CID 175541468
pyridin-3-yl pentane-3-sulfonate
CID 174448487
pyridine-3-sulfonamide;hydrochloride
CID 67156649
CID 118692694
CID 118692694
2-amino-4-pyridin-3-yloxybenzenesulfonamide
CID 79467523
pyridin-3-yl hypochlorite
CID 91164948
methanesulfonic acid;3-(3-methylphenoxy)pyridine
CID 117068642
pyridin-3-yl hydrogen sulfite
CID 68912651
(E)-2-pyridin-3-ylethenesulfonamide
CID 14912437
sodium oxido-oxo-pyridin-3-yloxyphosphanium
CID 141390427
phenyl 3-sulfamoylpyridine-4-sulfonate
CID 175256683
3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide
CID 43162717

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl sulfamate?
The IUPAC name of pyridin-3-yl sulfamate (CID 130625844) is pyridin-3-yl sulfamate.
What is the SMILES notation for pyridin-3-yl sulfamate?
The canonical SMILES for pyridin-3-yl sulfamate is NS(=O)(=O)Oc1cccnc1.
What is the InChIKey of pyridin-3-yl sulfamate?
The InChIKey is JDVVPRKRSOHXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3S/c6-11(8,9)10-5-2-1-3-7-4-5/h1-4H,(H2,6,8,9).
What are the key properties of pyridin-3-yl sulfamate?
pyridin-3-yl sulfamate has a molecular weight of 174.18 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl sulfamate is sourced from PubChem (CID 130625844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).