2-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)ethanethioamide

C8H12N4O2S2 — CID 102691214

IUPAC2-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)ethanethioamide
SMILESNC(=S)C(NS(=O)(=O)c1ccn[nH]1)C1CC1
InChIInChI=1S/C8H12N4O2S2/c9-8(15)7(5-1-2-5)12-16(13,14)6-3-4-10-11-6/h3-5,7,12H,1-2H2,(H2,9,15)(H,10,11)
InChIKeyFZBBSWQYRHAMFC-UHFFFAOYSA-N
MW260.34 g/mol
LogP-0.25
Rot. Bonds5

About 2-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)ethanethioamide

2-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)ethanethioamide (PubChem CID 102691214) has the molecular formula C8H12N4O2S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)ethanethioamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)ethanethioamide
PubChem CID102691214
Molecular FormulaC8H12N4O2S2
Molecular Weight260.34 g/mol
Exact Mass260.04
IUPAC Name2-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)ethanethioamide
SMILESNC(=S)C(NS(=O)(=O)c1ccn[nH]1)C1CC1
InChIInChI=1S/C8H12N4O2S2/c9-8(15)7(5-1-2-5)12-16(13,14)6-3-4-10-11-6/h3-5,7,12H,1-2H2,(H2,9,15)(H,10,11)
InChIKeyFZBBSWQYRHAMFC-UHFFFAOYSA-N
XLogP-0.25
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102691140
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693054
N-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide
CID 102690413
3-(1H-pyrazol-5-ylsulfonylamino)butanamide
CID 102693407
3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide
CID 102691194
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102691804
1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide
CID 102691211
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-2-cyclopropylethanethioamide
CID 105400186
N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide
CID 102693859
N-cycloheptyl-1H-pyrazole-5-sulfonamide
CID 102691549
N-cyclooctyl-1H-pyrazole-5-sulfonamide
CID 102691484
3-methyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690644

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)ethanethioamide?
The IUPAC name of 2-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)ethanethioamide (CID 102691214) is 2-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)ethanethioamide.
What is the SMILES notation for 2-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)ethanethioamide?
The canonical SMILES for 2-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)ethanethioamide is NC(=S)C(NS(=O)(=O)c1ccn[nH]1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)ethanethioamide?
The InChIKey is FZBBSWQYRHAMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S2/c9-8(15)7(5-1-2-5)12-16(13,14)6-3-4-10-11-6/h3-5,7,12H,1-2H2,(H2,9,15)(H,10,11).
What are the key properties of 2-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)ethanethioamide?
2-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)ethanethioamide has a molecular weight of 260.34 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)ethanethioamide is sourced from PubChem (CID 102691214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).