amino methanesulfonate;hydrochloride

CH6ClNO3S — CID 87157730

IUPACamino methanesulfonate;hydrochloride
SMILESCS(=O)(=O)ON.Cl
InChIInChI=1S/CH5NO3S.ClH/c1-6(3,4)5-2;/h2H2,1H3;1H
InChIKeySNWNFLDPAPDLDD-UHFFFAOYSA-N
MW147.58 g/mol
LogP-0.74
Rot. Bonds1

About amino methanesulfonate;hydrochloride

amino methanesulfonate;hydrochloride (PubChem CID 87157730) has the molecular formula CH6ClNO3S and a molecular weight of 147.58 g/mol. Its IUPAC name is amino methanesulfonate;hydrochloride.

Molecular Properties

Compound Nameamino methanesulfonate;hydrochloride
PubChem CID87157730
Molecular FormulaCH6ClNO3S
Molecular Weight147.58 g/mol
Exact Mass146.98
IUPAC Nameamino methanesulfonate;hydrochloride
SMILESCS(=O)(=O)ON.Cl
InChIInChI=1S/CH5NO3S.ClH/c1-6(3,4)5-2;/h2H2,1H3;1H
InChIKeySNWNFLDPAPDLDD-UHFFFAOYSA-N
XLogP-0.74
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.58
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methanesulfonamide;dihydrochloride
CID 23102685
silyl methanesulfonate
CID 19038808
hydroxylamine;methanesulfonic acid;hydrochloride
CID 87157729
sodium;hydride;methoxy methanesulfonate
CID 173180257
CID 131879747
CID 131879747
sodium methanesulfonoperoxoate
CID 59815177
calcium amino sulfate
CID 175022802
[aminooxy(hydroxy)phosphoryl] methanesulfonate
CID 169100222
O-ethylhydroxylamine;methanesulfonic acid
CID 172739815
[amino(methylsulfonyloxy)phosphoryl] methanesulfonate
CID 175254181
methylsulfonylperoxy(oxo)phosphanium
CID 154120858
CID 160957536
CID 160957536

Frequently Asked Questions

What is the IUPAC name of amino methanesulfonate;hydrochloride?
The IUPAC name of amino methanesulfonate;hydrochloride (CID 87157730) is amino methanesulfonate;hydrochloride.
What is the SMILES notation for amino methanesulfonate;hydrochloride?
The canonical SMILES for amino methanesulfonate;hydrochloride is CS(=O)(=O)ON.Cl.
What is the InChIKey of amino methanesulfonate;hydrochloride?
The InChIKey is SNWNFLDPAPDLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5NO3S.ClH/c1-6(3,4)5-2;/h2H2,1H3;1H.
What are the key properties of amino methanesulfonate;hydrochloride?
amino methanesulfonate;hydrochloride has a molecular weight of 147.58 g/mol, XLogP of -0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino methanesulfonate;hydrochloride is sourced from PubChem (CID 87157730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).