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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16226714
N-tert-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16226783
3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide
CID 16767763
N-[3-(diethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16288064
3,5-Dimethyl-4-(pyrrolidin-1-ylsulfonyl)-1H-pyrazole
CID 4736860
N-ethyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43263710
N-cyclopentyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide dihydrochloride
CID 45791919
N-cyclopentyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 40081478
3,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide
CID 63228102
3,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide
CID 103577916
3,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 103914900
3,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 104854793

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).