morpholin-4-ylmethylsulfanylphosphonic acid

C5H12NO4PS — CID 129026686

IUPACmorpholin-4-ylmethylsulfanylphosphonic acid
SMILESO=P(O)(O)SCN1CCOCC1
InChIInChI=1S/C5H12NO4PS/c7-11(8,9)12-5-6-1-3-10-4-2-6/h1-5H2,(H2,7,8,9)
InChIKeyBNPCXUMHLZTGIF-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.10
Rot. Bonds3

About morpholin-4-ylmethylsulfanylphosphonic acid

morpholin-4-ylmethylsulfanylphosphonic acid (PubChem CID 129026686) has the molecular formula C5H12NO4PS and a molecular weight of 213.19 g/mol. Its IUPAC name is morpholin-4-ylmethylsulfanylphosphonic acid.

Molecular Properties

Compound Namemorpholin-4-ylmethylsulfanylphosphonic acid
PubChem CID129026686
Molecular FormulaC5H12NO4PS
Molecular Weight213.19 g/mol
Exact Mass213.02
IUPAC Namemorpholin-4-ylmethylsulfanylphosphonic acid
SMILESO=P(O)(O)SCN1CCOCC1
InChIInChI=1S/C5H12NO4PS/c7-11(8,9)12-5-6-1-3-10-4-2-6/h1-5H2,(H2,7,8,9)
InChIKeyBNPCXUMHLZTGIF-UHFFFAOYSA-N
XLogP0.10
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze morpholin-4-ylmethylsulfanylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

piperidin-1-ylmethylsulfanylphosphonic acid
CID 167617396
1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethylphosphonic acid
CID 101017054
2-[16-(2-phosphonoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethylphosphonic acid
CID 20570588
[4-(phosphonomethyl)-1,7,10-trioxa-4,13-diazacyclooctadec-13-yl]methylphosphonic acid
CID 154388192
4-[[2-methylpentan-3-yl(propoxy)phosphoryl]sulfanylmethyl]morpholine
CID 134232896
4-[[(2-methylpropan-2-yl)oxy-(2-methylpropoxy)phosphoryl]sulfanylmethyl]morpholine
CID 146397069
dimorpholin-4-ylphosphinic acid
CID 4193589
S-(2-morpholin-4-ylacetyl)sulfanyl 2-morpholin-4-ylethanethioate
CID 57225107
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
4-(morpholin-4-ylmethyl)morpholine
CID 21839
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
4-(2-hydroxysulfanylethyl)morpholine
CID 166162246

Frequently Asked Questions

What is the IUPAC name of morpholin-4-ylmethylsulfanylphosphonic acid?
The IUPAC name of morpholin-4-ylmethylsulfanylphosphonic acid (CID 129026686) is morpholin-4-ylmethylsulfanylphosphonic acid.
What is the SMILES notation for morpholin-4-ylmethylsulfanylphosphonic acid?
The canonical SMILES for morpholin-4-ylmethylsulfanylphosphonic acid is O=P(O)(O)SCN1CCOCC1.
What is the InChIKey of morpholin-4-ylmethylsulfanylphosphonic acid?
The InChIKey is BNPCXUMHLZTGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO4PS/c7-11(8,9)12-5-6-1-3-10-4-2-6/h1-5H2,(H2,7,8,9).
What are the key properties of morpholin-4-ylmethylsulfanylphosphonic acid?
morpholin-4-ylmethylsulfanylphosphonic acid has a molecular weight of 213.19 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ylmethylsulfanylphosphonic acid is sourced from PubChem (CID 129026686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).