phosphono-(sulfinoamino)methane

CH6NO5PS — CID 22179310

IUPACphosphono-(sulfinoamino)methane
SMILESO=S(O)NCP(=O)(O)O
InChIInChI=1S/CH6NO5PS/c3-8(4,5)1-2-9(6)7/h2H,1H2,(H,6,7)(H2,3,4,5)
InChIKeyIQBRLDXDECXNFP-UHFFFAOYSA-N
MW175.10 g/mol
LogP-1.15
Rot. Bonds3

About phosphono-(sulfinoamino)methane

phosphono-(sulfinoamino)methane (PubChem CID 22179310) has the molecular formula CH6NO5PS and a molecular weight of 175.10 g/mol. Its IUPAC name is phosphono-(sulfinoamino)methane.

Molecular Properties

Compound Namephosphono-(sulfinoamino)methane
PubChem CID22179310
Molecular FormulaCH6NO5PS
Molecular Weight175.10 g/mol
Exact Mass174.97
IUPAC Namephosphono-(sulfinoamino)methane
SMILESO=S(O)NCP(=O)(O)O
InChIInChI=1S/CH6NO5PS/c3-8(4,5)1-2-9(6)7/h2H,1H2,(H,6,7)(H2,3,4,5)
InChIKeyIQBRLDXDECXNFP-UHFFFAOYSA-N
XLogP-1.15
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.10
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

amino-(sulfinoamino)methane
CID 174302377
(hydroxymethylamino)methylphosphonic acid
CID 20673096
azane;phosphoric acid;sulfurous acid
CID 173395602
calcium bis(2-(phosphonomethylamino)acetate)
CID 139601008
1-fluoro-5-(sulfinoamino)pentane
CID 91169380
[[1,4-diphosphono-4-(phosphonomethylamino)butyl]amino]methylphosphonic acid
CID 118864879
acetamidomethylphosphonic acid
CID 3017080
1-oxo-2-(phosphonomethylamino)-1-(sulfinatoamino)ethane
CID 151151649
[[hydroxy(methyl)phosphoryl]oxyamino]methylphosphonic acid
CID 87853523
CID 131878072
CID 131878072
1-aminooxy-2-(sulfinoamino)ethane
CID 163917015
1-nitro-2-(sulfinoamino)ethane
CID 91512244

Frequently Asked Questions

What is the IUPAC name of phosphono-(sulfinoamino)methane?
The IUPAC name of phosphono-(sulfinoamino)methane (CID 22179310) is phosphono-(sulfinoamino)methane.
What is the SMILES notation for phosphono-(sulfinoamino)methane?
The canonical SMILES for phosphono-(sulfinoamino)methane is O=S(O)NCP(=O)(O)O.
What is the InChIKey of phosphono-(sulfinoamino)methane?
The InChIKey is IQBRLDXDECXNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6NO5PS/c3-8(4,5)1-2-9(6)7/h2H,1H2,(H,6,7)(H2,3,4,5).
What are the key properties of phosphono-(sulfinoamino)methane?
phosphono-(sulfinoamino)methane has a molecular weight of 175.10 g/mol, XLogP of -1.15, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono-(sulfinoamino)methane is sourced from PubChem (CID 22179310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).