2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propanethioamide

C11H19N5O2S2 — CID 104709938

IUPAC2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propanethioamide
SMILESCC(C(N)=S)N1CCN(S(=O)(=O)c2ccnn2C)CC1
InChIInChI=1S/C11H19N5O2S2/c1-9(11(12)19)15-5-7-16(8-6-15)20(17,18)10-3-4-13-14(10)2/h3-4,9H,5-8H2,1-2H3,(H2,12,19)
InChIKeyJFFUTCYBIRZXMY-UHFFFAOYSA-N
MW317.44 g/mol
LogP-0.60
Rot. Bonds4

About 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propanethioamide

2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propanethioamide (PubChem CID 104709938) has the molecular formula C11H19N5O2S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propanethioamide.

Molecular Properties

Compound Name2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propanethioamide
PubChem CID104709938
Molecular FormulaC11H19N5O2S2
Molecular Weight317.44 g/mol
Exact Mass317.10
IUPAC Name2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propanethioamide
SMILESCC(C(N)=S)N1CCN(S(=O)(=O)c2ccnn2C)CC1
InChIInChI=1S/C11H19N5O2S2/c1-9(11(12)19)15-5-7-16(8-6-15)20(17,18)10-3-4-13-14(10)2/h3-4,9H,5-8H2,1-2H3,(H2,12,19)
InChIKeyJFFUTCYBIRZXMY-UHFFFAOYSA-N
XLogP-0.60
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 5-0.60
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

2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propan-1-amine
CID 104709342
2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]butanenitrile
CID 104709878
2-(4-sulfamoylpiperazin-1-yl)propanethioamide
CID 114959183
1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one
CID 104709956
N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide
CID 107162716
2-[4-(3-bromothiophen-2-yl)sulfonylpiperazin-1-yl]propanethioamide
CID 63342077
2-[4-[(5-fluoro-3-pyridinyl)sulfonyl]piperazin-1-yl]propanethioamide
CID 63342076
1-(2-methylpyrazol-3-yl)sulfonyl-1,4-diazepan-5-one
CID 113443979
1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708376
methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate
CID 113444014
N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 104710312
(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid
CID 104709718

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propanethioamide?
The IUPAC name of 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propanethioamide (CID 104709938) is 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propanethioamide.
What is the SMILES notation for 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propanethioamide?
The canonical SMILES for 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propanethioamide is CC(C(N)=S)N1CCN(S(=O)(=O)c2ccnn2C)CC1.
What is the InChIKey of 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propanethioamide?
The InChIKey is JFFUTCYBIRZXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S2/c1-9(11(12)19)15-5-7-16(8-6-15)20(17,18)10-3-4-13-14(10)2/h3-4,9H,5-8H2,1-2H3,(H2,12,19).
What are the key properties of 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propanethioamide?
2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propanethioamide has a molecular weight of 317.44 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propanethioamide is sourced from PubChem (CID 104709938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).