1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide

C9H14N4O2S2 — CID 102691211

IUPAC1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide
SMILESNC(=S)C1CCCCN1S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H14N4O2S2/c10-9(16)7-3-1-2-6-13(7)17(14,15)8-4-5-11-12-8/h4-5,7H,1-3,6H2,(H2,10,16)(H,11,12)
InChIKeyKQAQZYPPRPANDN-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.24
Rot. Bonds3

About 1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide

1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide (PubChem CID 102691211) has the molecular formula C9H14N4O2S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide
PubChem CID102691211
Molecular FormulaC9H14N4O2S2
Molecular Weight274.37 g/mol
Exact Mass274.06
IUPAC Name1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide
SMILESNC(=S)C1CCCCN1S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H14N4O2S2/c10-9(16)7-3-1-2-6-13(7)17(14,15)8-4-5-11-12-8/h4-5,7H,1-3,6H2,(H2,10,16)(H,11,12)
InChIKeyKQAQZYPPRPANDN-UHFFFAOYSA-N
XLogP0.24
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.24
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

N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102690607
N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide
CID 102691080
1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 102691873
1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine
CID 102692807
1-(1H-pyrazol-5-ylsulfonyl)-4-(trifluoromethyl)piperidine
CID 113725769
4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 155952046
(3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine
CID 102693661
2-[4-(1H-pyrazol-4-ylsulfonylamino)piperidin-1-yl]ethanethioamide
CID 63627352
1-(1H-pyrazol-4-ylsulfonyl)piperidine-2-carbothioamide
CID 64443534
1-(1H-pyrazole-3-sulfonyl)piperazine hydrobromide
CID 86775471
1-(1H-pyrazol-5-ylsulfonyl)piperazine
CID 86775472
1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine
CID 102690322

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide?
The IUPAC name of 1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide (CID 102691211) is 1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide.
What is the SMILES notation for 1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide?
The canonical SMILES for 1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide is NC(=S)C1CCCCN1S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide?
The InChIKey is KQAQZYPPRPANDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S2/c10-9(16)7-3-1-2-6-13(7)17(14,15)8-4-5-11-12-8/h4-5,7H,1-3,6H2,(H2,10,16)(H,11,12).
What are the key properties of 1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide?
1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide has a molecular weight of 274.37 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide is sourced from PubChem (CID 102691211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).