3-[2-methoxyethyl-(2-methylpyrazol-3-yl)sulfonylamino]propanethioamide

C10H18N4O3S2 — CID 104709936

IUPAC3-[2-methoxyethyl-(2-methylpyrazol-3-yl)sulfonylamino]propanethioamide
SMILESCOCCN(CCC(N)=S)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C10H18N4O3S2/c1-13-10(3-5-12-13)19(15,16)14(7-8-17-2)6-4-9(11)18/h3,5H,4,6-8H2,1-2H3,(H2,11,18)
InChIKeyDAGAIFCDOGQLQF-UHFFFAOYSA-N
MW306.41 g/mol
LogP-0.27
Rot. Bonds8

About 3-[2-methoxyethyl-(2-methylpyrazol-3-yl)sulfonylamino]propanethioamide

3-[2-methoxyethyl-(2-methylpyrazol-3-yl)sulfonylamino]propanethioamide (PubChem CID 104709936) has the molecular formula C10H18N4O3S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[2-methoxyethyl-(2-methylpyrazol-3-yl)sulfonylamino]propanethioamide.

Molecular Properties

Compound Name3-[2-methoxyethyl-(2-methylpyrazol-3-yl)sulfonylamino]propanethioamide
PubChem CID104709936
Molecular FormulaC10H18N4O3S2
Molecular Weight306.41 g/mol
Exact Mass306.08
IUPAC Name3-[2-methoxyethyl-(2-methylpyrazol-3-yl)sulfonylamino]propanethioamide
SMILESCOCCN(CCC(N)=S)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C10H18N4O3S2/c1-13-10(3-5-12-13)19(15,16)14(7-8-17-2)6-4-9(11)18/h3,5H,4,6-8H2,1-2H3,(H2,11,18)
InChIKeyDAGAIFCDOGQLQF-UHFFFAOYSA-N
XLogP-0.27
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-methylpyrazol-3-yl)sulfonyl-propylamino]acetate
CID 104710365
3-[(1-ethyl-2-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide
CID 63287765
methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate
CID 104710370
3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide
CID 63285533
3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide
CID 63285308
N-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide
CID 114243749
N-(2-bromo-3-methoxypropyl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104710609
3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide
CID 55172286
3-[(1,1-dioxothian-4-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide
CID 63287722
2-[(2-methylpyrazol-3-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 104709691
N-(3-amino-2-methylpropyl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104709309
N-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazole-3-sulfonamide
CID 113444011

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl-(2-methylpyrazol-3-yl)sulfonylamino]propanethioamide?
The IUPAC name of 3-[2-methoxyethyl-(2-methylpyrazol-3-yl)sulfonylamino]propanethioamide (CID 104709936) is 3-[2-methoxyethyl-(2-methylpyrazol-3-yl)sulfonylamino]propanethioamide.
What is the SMILES notation for 3-[2-methoxyethyl-(2-methylpyrazol-3-yl)sulfonylamino]propanethioamide?
The canonical SMILES for 3-[2-methoxyethyl-(2-methylpyrazol-3-yl)sulfonylamino]propanethioamide is COCCN(CCC(N)=S)S(=O)(=O)c1ccnn1C.
What is the InChIKey of 3-[2-methoxyethyl-(2-methylpyrazol-3-yl)sulfonylamino]propanethioamide?
The InChIKey is DAGAIFCDOGQLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S2/c1-13-10(3-5-12-13)19(15,16)14(7-8-17-2)6-4-9(11)18/h3,5H,4,6-8H2,1-2H3,(H2,11,18).
What are the key properties of 3-[2-methoxyethyl-(2-methylpyrazol-3-yl)sulfonylamino]propanethioamide?
3-[2-methoxyethyl-(2-methylpyrazol-3-yl)sulfonylamino]propanethioamide has a molecular weight of 306.41 g/mol, XLogP of -0.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl-(2-methylpyrazol-3-yl)sulfonylamino]propanethioamide is sourced from PubChem (CID 104709936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).