4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide

C13H24N4O2S2 — CID 106073747

IUPAC4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide
SMILESCCNCc1c(S(=O)(=O)NCC2(C)CCCS2)n[nH]c1C
InChIInChI=1S/C13H24N4O2S2/c1-4-14-8-11-10(2)16-17-12(11)21(18,19)15-9-13(3)6-5-7-20-13/h14-15H,4-9H2,1-3H3,(H,16,17)
InChIKeyMAGFMALMDDUWNB-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.39
Rot. Bonds7

About 4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide

4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide (PubChem CID 106073747) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide
PubChem CID106073747
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC Name4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide
SMILESCCNCc1c(S(=O)(=O)NCC2(C)CCCS2)n[nH]c1C
InChIInChI=1S/C13H24N4O2S2/c1-4-14-8-11-10(2)16-17-12(11)21(18,19)15-9-13(3)6-5-7-20-13/h14-15H,4-9H2,1-3H3,(H,16,17)
InChIKeyMAGFMALMDDUWNB-UHFFFAOYSA-N
XLogP1.39
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-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

4-(ethylaminomethyl)-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106062981
4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106016475
4-(ethylaminomethyl)-5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106029941
4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106378084
4-(ethylaminomethyl)-5-methyl-N-(4-methylpentan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106028545
2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide
CID 80742802
N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106086042
4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106411271
4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide
CID 106018854
N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106020549
4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80742757
4-[(2-methylthiolan-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 80736830

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide (CID 106073747) is 4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide is CCNCc1c(S(=O)(=O)NCC2(C)CCCS2)n[nH]c1C.
What is the InChIKey of 4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide?
The InChIKey is MAGFMALMDDUWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-4-14-8-11-10(2)16-17-12(11)21(18,19)15-9-13(3)6-5-7-20-13/h14-15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide?
4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide has a molecular weight of 332.50 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106073747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).