5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide

C8H14N4O2S2 — CID 80584899

IUPAC5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCC1CCCS1
InChIInChI=1S/C8H14N4O2S2/c9-8-7(5-10-12-8)16(13,14)11-4-6-2-1-3-15-6/h5-6,11H,1-4H2,(H3,9,10,12)
InChIKeyGUTNWKAWOCOJHX-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.17
Rot. Bonds4

About 5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 80584899) has the molecular formula C8H14N4O2S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID80584899
Molecular FormulaC8H14N4O2S2
Molecular Weight262.36 g/mol
Exact Mass262.06
IUPAC Name5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCC1CCCS1
InChIInChI=1S/C8H14N4O2S2/c9-8-7(5-10-12-8)16(13,14)11-4-6-2-1-3-15-6/h5-6,11H,1-4H2,(H3,9,10,12)
InChIKeyGUTNWKAWOCOJHX-UHFFFAOYSA-N
XLogP0.17
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 80584899) is 5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)NCC1CCCS1.
What is the InChIKey of 5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is GUTNWKAWOCOJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S2/c9-8-7(5-10-12-8)16(13,14)11-4-6-2-1-3-15-6/h5-6,11H,1-4H2,(H3,9,10,12).
What are the key properties of 5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 262.36 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 80584899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).