formaldehyde;2-[2-[2-[2-methoxyethyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]ethyl formate

C13H28N2O4S2 — CID 176995754

IUPACformaldehyde;2-[2-[2-[2-methoxyethyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]ethyl formate
SMILESC=O.COCCN(C)CCSSCCN(C)CCOC=O
InChIInChI=1S/C12H26N2O3S2.CH2O/c1-13(4-8-16-3)6-10-18-19-11-7-14(2)5-9-17-12-15;1-2/h12H,4-11H2,1-3H3;1H2
InChIKeyBYPKLLIHCHHLJN-UHFFFAOYSA-N
MW340.51 g/mol
LogP0.87
Rot. Bonds14

About formaldehyde;2-[2-[2-[2-methoxyethyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]ethyl formate

formaldehyde;2-[2-[2-[2-methoxyethyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]ethyl formate (PubChem CID 176995754) has the molecular formula C13H28N2O4S2 and a molecular weight of 340.51 g/mol. Its IUPAC name is formaldehyde;2-[2-[2-[2-methoxyethyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]ethyl formate.

Molecular Properties

Compound Nameformaldehyde;2-[2-[2-[2-methoxyethyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]ethyl formate
PubChem CID176995754
Molecular FormulaC13H28N2O4S2
Molecular Weight340.51 g/mol
Exact Mass340.15
IUPAC Nameformaldehyde;2-[2-[2-[2-methoxyethyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]ethyl formate
SMILESC=O.COCCN(C)CCSSCCN(C)CCOC=O
InChIInChI=1S/C12H26N2O3S2.CH2O/c1-13(4-8-16-3)6-10-18-19-11-7-14(2)5-9-17-12-15;1-2/h12H,4-11H2,1-3H3;1H2
InChIKeyBYPKLLIHCHHLJN-UHFFFAOYSA-N
XLogP0.87
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze formaldehyde;2-[2-[2-[2-methoxyethyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]ethyl formate 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

formaldehyde;3-[2-[2-[3-methoxypropyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]propyl formate
CID 176998850
ethene;N-(2-methoxyethyl)-N-methylpropan-1-amine
CID 143338989
N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62557035
4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
CID 143607553
ethane;N-ethyl-N'-(2-methoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 143417410
N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62557559
2-(3-oxopropyldisulfanyl)ethyl formate
CID 176677121
(E)-3-ethylsulfonyl-N-(2-methoxyethyl)-N-methylprop-2-en-1-amine
CID 138573012
4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-oxobut-2-enoic acid
CID 76950647
4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide
CID 62843976
N-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylacetamide
CID 62843102
N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80695332

Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-[2-[2-[2-methoxyethyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]ethyl formate?
The IUPAC name of formaldehyde;2-[2-[2-[2-methoxyethyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]ethyl formate (CID 176995754) is formaldehyde;2-[2-[2-[2-methoxyethyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]ethyl formate.
What is the SMILES notation for formaldehyde;2-[2-[2-[2-methoxyethyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]ethyl formate?
The canonical SMILES for formaldehyde;2-[2-[2-[2-methoxyethyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]ethyl formate is C=O.COCCN(C)CCSSCCN(C)CCOC=O.
What is the InChIKey of formaldehyde;2-[2-[2-[2-methoxyethyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]ethyl formate?
The InChIKey is BYPKLLIHCHHLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S2.CH2O/c1-13(4-8-16-3)6-10-18-19-11-7-14(2)5-9-17-12-15;1-2/h12H,4-11H2,1-3H3;1H2.
What are the key properties of formaldehyde;2-[2-[2-[2-methoxyethyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]ethyl formate?
formaldehyde;2-[2-[2-[2-methoxyethyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]ethyl formate has a molecular weight of 340.51 g/mol, XLogP of 0.87, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-[2-[2-[2-methoxyethyl(methyl)amino]ethyldisulfanyl]ethyl-methylamino]ethyl formate is sourced from PubChem (CID 176995754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).