3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide

C10H17N3O2S2 — CID 80585796

IUPAC3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC1CCCS1
InChIInChI=1S/C10H17N3O2S2/c1-7-10(8(2)13-12-7)17(14,15)11-6-9-4-3-5-16-9/h9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyQHOJGXZDAOYNHP-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.20
Rot. Bonds4

About 3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 80585796) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID80585796
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC1CCCS1
InChIInChI=1S/C10H17N3O2S2/c1-7-10(8(2)13-12-7)17(14,15)11-6-9-4-3-5-16-9/h9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyQHOJGXZDAOYNHP-UHFFFAOYSA-N
XLogP1.20
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 80585796) is 3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCC1CCCS1.
What is the InChIKey of 3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is QHOJGXZDAOYNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-7-10(8(2)13-12-7)17(14,15)11-6-9-4-3-5-16-9/h9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 275.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 80585796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).