2-[4-(2-methoxyethoxy)butylsulfamoyl]ethanethioamide

C9H20N2O4S2 — CID 113463866

IUPAC2-[4-(2-methoxyethoxy)butylsulfamoyl]ethanethioamide
SMILESCOCCOCCCCNS(=O)(=O)CC(N)=S
InChIInChI=1S/C9H20N2O4S2/c1-14-6-7-15-5-3-2-4-11-17(12,13)8-9(10)16/h11H,2-8H2,1H3,(H2,10,16)
InChIKeyKYDLEYVRQVNOKM-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.36
Rot. Bonds11

About 2-[4-(2-methoxyethoxy)butylsulfamoyl]ethanethioamide

2-[4-(2-methoxyethoxy)butylsulfamoyl]ethanethioamide (PubChem CID 113463866) has the molecular formula C9H20N2O4S2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)butylsulfamoyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)butylsulfamoyl]ethanethioamide
PubChem CID113463866
Molecular FormulaC9H20N2O4S2
Molecular Weight284.40 g/mol
Exact Mass284.09
IUPAC Name2-[4-(2-methoxyethoxy)butylsulfamoyl]ethanethioamide
SMILESCOCCOCCCCNS(=O)(=O)CC(N)=S
InChIInChI=1S/C9H20N2O4S2/c1-14-6-7-15-5-3-2-4-11-17(12,13)8-9(10)16/h11H,2-8H2,1H3,(H2,10,16)
InChIKeyKYDLEYVRQVNOKM-UHFFFAOYSA-N
XLogP-0.36
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)butanethioamide
CID 24699894
N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide
CID 106001805
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
N-[3-[2-(2-methoxyethoxy)ethylsulfonylamino]propyl]acetamide
CID 110630773
methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate
CID 115677926
N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114140768
4-(2-methoxyethoxy)butyl methyl carbonate
CID 87247594
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
2-(2-methoxypropylsulfamoyl)ethanethioamide
CID 102698254
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577
3-[2-(2-methoxyethoxy)ethoxy]propanethioamide
CID 104561947

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxy)butylsulfamoyl]ethanethioamide?
The IUPAC name of 2-[4-(2-methoxyethoxy)butylsulfamoyl]ethanethioamide (CID 113463866) is 2-[4-(2-methoxyethoxy)butylsulfamoyl]ethanethioamide.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)butylsulfamoyl]ethanethioamide?
The canonical SMILES for 2-[4-(2-methoxyethoxy)butylsulfamoyl]ethanethioamide is COCCOCCCCNS(=O)(=O)CC(N)=S.
What is the InChIKey of 2-[4-(2-methoxyethoxy)butylsulfamoyl]ethanethioamide?
The InChIKey is KYDLEYVRQVNOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2/c1-14-6-7-15-5-3-2-4-11-17(12,13)8-9(10)16/h11H,2-8H2,1H3,(H2,10,16).
What are the key properties of 2-[4-(2-methoxyethoxy)butylsulfamoyl]ethanethioamide?
2-[4-(2-methoxyethoxy)butylsulfamoyl]ethanethioamide has a molecular weight of 284.40 g/mol, XLogP of -0.36, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)butylsulfamoyl]ethanethioamide is sourced from PubChem (CID 113463866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).