dimethoxy-[2-(methylamino)-2-oxoethyl]sulfanyl-sulfanylphosphanium

C5H13NO3PS2+ — CID 4712751

IUPACdimethoxy-[2-(methylamino)-2-oxoethyl]sulfanyl-sulfanylphosphanium
SMILESCNC(=O)CS[P+](S)(OC)OC
InChIInChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h11H,4H2,1-3H3/p+1
InChIKeyOBDNKLVSKCMESK-UHFFFAOYSA-O
MW230.27 g/mol
LogP1.37
Rot. Bonds5

About dimethoxy-[2-(methylamino)-2-oxoethyl]sulfanyl-sulfanylphosphanium

dimethoxy-[2-(methylamino)-2-oxoethyl]sulfanyl-sulfanylphosphanium (PubChem CID 4712751) has the molecular formula C5H13NO3PS2+ and a molecular weight of 230.27 g/mol. Its IUPAC name is dimethoxy-[2-(methylamino)-2-oxoethyl]sulfanyl-sulfanylphosphanium.

Molecular Properties

Compound Namedimethoxy-[2-(methylamino)-2-oxoethyl]sulfanyl-sulfanylphosphanium
PubChem CID4712751
Molecular FormulaC5H13NO3PS2+
Molecular Weight230.27 g/mol
Exact Mass230.01
IUPAC Namedimethoxy-[2-(methylamino)-2-oxoethyl]sulfanyl-sulfanylphosphanium
SMILESCNC(=O)CS[P+](S)(OC)OC
InChIInChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h11H,4H2,1-3H3/p+1
InChIKeyOBDNKLVSKCMESK-UHFFFAOYSA-O
XLogP1.37
TPSA47.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze dimethoxy-[2-(methylamino)-2-oxoethyl]sulfanyl-sulfanylphosphanium 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

2-(3-hydroxybutan-2-ylsulfanyl)-N-methylacetamide
CID 103705550
2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide
CID 65418587
2-(1-cyanopropylsulfanyl)-N-methylacetamide
CID 130489917
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;hydrate
CID 121304179
N-methyl-2-(methylamino)acetamide
CID 2463138
N-methyl-4-oxo-3-sulfanylpentanamide
CID 130374131
S-[2-(methylamino)-2-oxoethyl] propanethioate
CID 11708108
methyl 2-(methylamino)-2-oxoethanesulfonate
CID 57239162
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;ethanol
CID 175463799
S-[2-(methylamino)-2-oxoethyl] hexanethioate
CID 11557503
2-(3-methoxybutan-2-ylamino)-N-methylacetamide
CID 115706830
3-(2-methoxypropyl)-N,N'-dimethylpentanediamide
CID 141238561

Frequently Asked Questions

What is the IUPAC name of dimethoxy-[2-(methylamino)-2-oxoethyl]sulfanyl-sulfanylphosphanium?
The IUPAC name of dimethoxy-[2-(methylamino)-2-oxoethyl]sulfanyl-sulfanylphosphanium (CID 4712751) is dimethoxy-[2-(methylamino)-2-oxoethyl]sulfanyl-sulfanylphosphanium.
What is the SMILES notation for dimethoxy-[2-(methylamino)-2-oxoethyl]sulfanyl-sulfanylphosphanium?
The canonical SMILES for dimethoxy-[2-(methylamino)-2-oxoethyl]sulfanyl-sulfanylphosphanium is CNC(=O)CS[P+](S)(OC)OC.
What is the InChIKey of dimethoxy-[2-(methylamino)-2-oxoethyl]sulfanyl-sulfanylphosphanium?
The InChIKey is OBDNKLVSKCMESK-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h11H,4H2,1-3H3/p+1.
What are the key properties of dimethoxy-[2-(methylamino)-2-oxoethyl]sulfanyl-sulfanylphosphanium?
dimethoxy-[2-(methylamino)-2-oxoethyl]sulfanyl-sulfanylphosphanium has a molecular weight of 230.27 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-[2-(methylamino)-2-oxoethyl]sulfanyl-sulfanylphosphanium is sourced from PubChem (CID 4712751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).