N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide

C12H17N3O2S2 — CID 8005338

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESCc1cc(C)n(CCCNS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C12H17N3O2S2/c1-10-9-11(2)15(14-10)7-4-6-13-19(16,17)12-5-3-8-18-12/h3,5,8-9,13H,4,6-7H2,1-2H3
InChIKeyQHUKBABBFBKDAH-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.93
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide (PubChem CID 8005338) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
PubChem CID8005338
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESCc1cc(C)n(CCCNS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C12H17N3O2S2/c1-10-9-11(2)15(14-10)7-4-6-13-19(16,17)12-5-3-8-18-12/h3,5,8-9,13H,4,6-7H2,1-2H3
InChIKeyQHUKBABBFBKDAH-UHFFFAOYSA-N
XLogP1.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-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

1,3,5-trimethyl-N-(thien-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 3243813
1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-(thiophen-2-ylsulfonyl)piperazine
CID 71783865
N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)thiophene-2-sulfonamide
CID 71808060
N-cyclopropyl-1,3,5-trimethyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 71806202
N-cyclopropyl-1,3,5-trimethyl-N-(2-(thiophen-2-yl)ethyl)-1H-pyrazole-4-sulfonamide
CID 71806207
1,3,5-trimethyl-N-((1-(thiophen-3-ylmethyl)piperidin-4-yl)methyl)-1H-pyrazole-4-sulfonamide
CID 71806266
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22771349
5-chloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22771350
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 129523100
N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]cyclopropanesulfonamide
CID 129528766
3,5-Dimethyl-1-(thiophene-2-sulfonyl)-1H-pyrazole
CID 769081
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-sulfonamide
CID 4767543

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide (CID 8005338) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide is Cc1cc(C)n(CCCNS(=O)(=O)c2cccs2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is QHUKBABBFBKDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-10-9-11(2)15(14-10)7-4-6-13-19(16,17)12-5-3-8-18-12/h3,5,8-9,13H,4,6-7H2,1-2H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 8005338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).