3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide

C6H10N4O2S2 — CID 102691194

IUPAC3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide
SMILESNC(=S)CCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C6H10N4O2S2/c7-5(13)1-4-9-14(11,12)6-2-3-8-10-6/h2-3,9H,1,4H2,(H2,7,13)(H,8,10)
InChIKeyMFSCJBNAUSCZMR-UHFFFAOYSA-N
MW234.31 g/mol
LogP-0.64
Rot. Bonds5

About 3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide

3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide (PubChem CID 102691194) has the molecular formula C6H10N4O2S2 and a molecular weight of 234.31 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide.

Molecular Properties

Compound Name3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide
PubChem CID102691194
Molecular FormulaC6H10N4O2S2
Molecular Weight234.31 g/mol
Exact Mass234.02
IUPAC Name3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide
SMILESNC(=S)CCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C6H10N4O2S2/c7-5(13)1-4-9-14(11,12)6-2-3-8-10-6/h2-3,9H,1,4H2,(H2,7,13)(H,8,10)
InChIKeyMFSCJBNAUSCZMR-UHFFFAOYSA-N
XLogP-0.64
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 5-0.64
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-(6-iodohexyl)-1H-pyrazole-5-sulfonamide
CID 107849067
N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide
CID 106125806
2-(1H-pyrazol-5-ylsulfonylamino)acetic acid
CID 102690627
N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102691892
N-[(2R)-2-hydroxypropyl]-1H-pyrazole-5-sulfonamide
CID 102693499
N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide
CID 102691141
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691011
N-prop-2-enyl-1H-pyrazole-5-sulfonamide
CID 102690992
N'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide
CID 102693887
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102692888
N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693440
N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693334

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide?
The IUPAC name of 3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide (CID 102691194) is 3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide.
What is the SMILES notation for 3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide?
The canonical SMILES for 3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide is NC(=S)CCNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide?
The InChIKey is MFSCJBNAUSCZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S2/c7-5(13)1-4-9-14(11,12)6-2-3-8-10-6/h2-3,9H,1,4H2,(H2,7,13)(H,8,10).
What are the key properties of 3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide?
3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide has a molecular weight of 234.31 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide is sourced from PubChem (CID 102691194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).