2-(2-methoxypropylsulfamoyl)ethanethioamide

C6H14N2O3S2 — CID 102698254

IUPAC2-(2-methoxypropylsulfamoyl)ethanethioamide
SMILESCOC(C)CNS(=O)(=O)CC(N)=S
InChIInChI=1S/C6H14N2O3S2/c1-5(11-2)3-8-13(9,10)4-6(7)12/h5,8H,3-4H2,1-2H3,(H2,7,12)
InChIKeyXRSDNCWVLUOUQB-UHFFFAOYSA-N
MW226.32 g/mol
LogP-0.77
Rot. Bonds6

About 2-(2-methoxypropylsulfamoyl)ethanethioamide

2-(2-methoxypropylsulfamoyl)ethanethioamide (PubChem CID 102698254) has the molecular formula C6H14N2O3S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(2-methoxypropylsulfamoyl)ethanethioamide.

Molecular Properties

Compound Name2-(2-methoxypropylsulfamoyl)ethanethioamide
PubChem CID102698254
Molecular FormulaC6H14N2O3S2
Molecular Weight226.32 g/mol
Exact Mass226.04
IUPAC Name2-(2-methoxypropylsulfamoyl)ethanethioamide
SMILESCOC(C)CNS(=O)(=O)CC(N)=S
InChIInChI=1S/C6H14N2O3S2/c1-5(11-2)3-8-13(9,10)4-6(7)12/h5,8H,3-4H2,1-2H3,(H2,7,12)
InChIKeyXRSDNCWVLUOUQB-UHFFFAOYSA-N
XLogP-0.77
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-methoxypropyl)propane-1-sulfonamide
CID 102697740
2-methoxypropylthiourea
CID 102697400
2-methoxy-N-(2-methoxypropyl)ethanesulfonamide
CID 102697513
methyl 3-(2-methoxypropylsulfamoyl)propanoate
CID 102697663
2-[4-(2-methoxyethoxy)butylsulfamoyl]ethanethioamide
CID 113463866
methyl 2-(2-methylpropylsulfamoyl)acetate
CID 63928470
1-amino-N-(2-methoxypropyl)butane-2-sulfonamide
CID 102697729
2-carbamothioyl-N-(2-methoxypropyl)butanamide
CID 102698233
N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide
CID 102699220
3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid
CID 102695739
2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide
CID 102700480
methyl 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)sulfamoyl]propanoate
CID 62666912

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropylsulfamoyl)ethanethioamide?
The IUPAC name of 2-(2-methoxypropylsulfamoyl)ethanethioamide (CID 102698254) is 2-(2-methoxypropylsulfamoyl)ethanethioamide.
What is the SMILES notation for 2-(2-methoxypropylsulfamoyl)ethanethioamide?
The canonical SMILES for 2-(2-methoxypropylsulfamoyl)ethanethioamide is COC(C)CNS(=O)(=O)CC(N)=S.
What is the InChIKey of 2-(2-methoxypropylsulfamoyl)ethanethioamide?
The InChIKey is XRSDNCWVLUOUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S2/c1-5(11-2)3-8-13(9,10)4-6(7)12/h5,8H,3-4H2,1-2H3,(H2,7,12).
What are the key properties of 2-(2-methoxypropylsulfamoyl)ethanethioamide?
2-(2-methoxypropylsulfamoyl)ethanethioamide has a molecular weight of 226.32 g/mol, XLogP of -0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropylsulfamoyl)ethanethioamide is sourced from PubChem (CID 102698254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).