ethoxymethyl-[2-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium

C12H22N2O5PS2+ — CID 6337732

IUPACethoxymethyl-[2-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium
SMILESCCOC[P+](=S)SCC(=O)NCC(=O)N[C@@H](C)C(=O)OCC
InChIInChI=1S/C12H21N2O5PS2/c1-4-18-8-20(21)22-7-11(16)13-6-10(15)14-9(3)12(17)19-5-2/h9H,4-8H2,1-3H3,(H-,13,14,15,16)/p+1/t9-/m0/s1
InChIKeyHTEMGNAZEKCQNI-VIFPVBQESA-O
MW369.43 g/mol
LogP0.76
Rot. Bonds11

About ethoxymethyl-[2-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium

ethoxymethyl-[2-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium (PubChem CID 6337732) has the molecular formula C12H22N2O5PS2+ and a molecular weight of 369.43 g/mol. Its IUPAC name is ethoxymethyl-[2-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium.

Molecular Properties

Compound Nameethoxymethyl-[2-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium
PubChem CID6337732
Molecular FormulaC12H22N2O5PS2+
Molecular Weight369.43 g/mol
Exact Mass369.07
IUPAC Nameethoxymethyl-[2-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium
SMILESCCOC[P+](=S)SCC(=O)NCC(=O)N[C@@H](C)C(=O)OCC
InChIInChI=1S/C12H21N2O5PS2/c1-4-18-8-20(21)22-7-11(16)13-6-10(15)14-9(3)12(17)19-5-2/h9H,4-8H2,1-3H3,(H-,13,14,15,16)/p+1/t9-/m0/s1
InChIKeyHTEMGNAZEKCQNI-VIFPVBQESA-O
XLogP0.76
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxymethyl-[2-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium?
The IUPAC name of ethoxymethyl-[2-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium (CID 6337732) is ethoxymethyl-[2-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium.
What is the SMILES notation for ethoxymethyl-[2-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium?
The canonical SMILES for ethoxymethyl-[2-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium is CCOC[P+](=S)SCC(=O)NCC(=O)N[C@@H](C)C(=O)OCC.
What is the InChIKey of ethoxymethyl-[2-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium?
The InChIKey is HTEMGNAZEKCQNI-VIFPVBQESA-O. The full InChI is InChI=1S/C12H21N2O5PS2/c1-4-18-8-20(21)22-7-11(16)13-6-10(15)14-9(3)12(17)19-5-2/h9H,4-8H2,1-3H3,(H-,13,14,15,16)/p+1/t9-/m0/s1.
What are the key properties of ethoxymethyl-[2-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium?
ethoxymethyl-[2-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium has a molecular weight of 369.43 g/mol, XLogP of 0.76, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl-[2-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium is sourced from PubChem (CID 6337732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).