[(carboxymethylamino)-dimorpholin-4-ylmethyl]-sulfanylidenephosphanium

C11H21N3O4PS+ — CID 173410261

IUPAC[(carboxymethylamino)-dimorpholin-4-ylmethyl]-sulfanylidenephosphanium
SMILESO=C(O)CNC([PH+]=S)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C11H20N3O4PS/c15-10(16)9-12-11(19-20,13-1-5-17-6-2-13)14-3-7-18-8-4-14/h12H,1-9H2,(H,15,16)/p+1
InChIKeyWMMKRTYDFMNFSF-UHFFFAOYSA-O
MW322.35 g/mol
LogP-0.92
Rot. Bonds6

About [(carboxymethylamino)-dimorpholin-4-ylmethyl]-sulfanylidenephosphanium

[(carboxymethylamino)-dimorpholin-4-ylmethyl]-sulfanylidenephosphanium (PubChem CID 173410261) has the molecular formula C11H21N3O4PS+ and a molecular weight of 322.35 g/mol. Its IUPAC name is [(carboxymethylamino)-dimorpholin-4-ylmethyl]-sulfanylidenephosphanium.

Molecular Properties

Compound Name[(carboxymethylamino)-dimorpholin-4-ylmethyl]-sulfanylidenephosphanium
PubChem CID173410261
Molecular FormulaC11H21N3O4PS+
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name[(carboxymethylamino)-dimorpholin-4-ylmethyl]-sulfanylidenephosphanium
SMILESO=C(O)CNC([PH+]=S)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C11H20N3O4PS/c15-10(16)9-12-11(19-20,13-1-5-17-6-2-13)14-3-7-18-8-4-14/h12H,1-9H2,(H,15,16)/p+1
InChIKeyWMMKRTYDFMNFSF-UHFFFAOYSA-O
XLogP-0.92
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimorpholin-4-ylacetic acid
CID 12864794
2,2-Dimorpholin-4-ylacetic acid;morpholine
CID 12864795
2-(Dimorpholin-4-ylphosphinothioylmethylamino)acetic acid
CID 20211526
3-(2-Oxomorpholin-4-yl)morpholin-2-one
CID 53913237
2-[[Dimorpholin-4-yl(thiophosphoroso)methyl]amino]acetic acid
CID 54056310

Frequently Asked Questions

What is the IUPAC name of [(carboxymethylamino)-dimorpholin-4-ylmethyl]-sulfanylidenephosphanium?
The IUPAC name of [(carboxymethylamino)-dimorpholin-4-ylmethyl]-sulfanylidenephosphanium (CID 173410261) is [(carboxymethylamino)-dimorpholin-4-ylmethyl]-sulfanylidenephosphanium.
What is the SMILES notation for [(carboxymethylamino)-dimorpholin-4-ylmethyl]-sulfanylidenephosphanium?
The canonical SMILES for [(carboxymethylamino)-dimorpholin-4-ylmethyl]-sulfanylidenephosphanium is O=C(O)CNC([PH+]=S)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of [(carboxymethylamino)-dimorpholin-4-ylmethyl]-sulfanylidenephosphanium?
The InChIKey is WMMKRTYDFMNFSF-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H20N3O4PS/c15-10(16)9-12-11(19-20,13-1-5-17-6-2-13)14-3-7-18-8-4-14/h12H,1-9H2,(H,15,16)/p+1.
What are the key properties of [(carboxymethylamino)-dimorpholin-4-ylmethyl]-sulfanylidenephosphanium?
[(carboxymethylamino)-dimorpholin-4-ylmethyl]-sulfanylidenephosphanium has a molecular weight of 322.35 g/mol, XLogP of -0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(carboxymethylamino)-dimorpholin-4-ylmethyl]-sulfanylidenephosphanium is sourced from PubChem (CID 173410261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).