3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide

C11H20N4O2S2 — CID 106072257

IUPAC3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)NCC1CCCCS1
InChIInChI=1S/C11H20N4O2S2/c1-8-11(10(6-12)15-14-8)19(16,17)13-7-9-4-2-3-5-18-9/h9,13H,2-7,12H2,1H3,(H,14,15)
InChIKeyJOQAMEJBJFLUDD-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.74
Rot. Bonds5

About 3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide

3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 106072257) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID106072257
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC Name3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)NCC1CCCCS1
InChIInChI=1S/C11H20N4O2S2/c1-8-11(10(6-12)15-14-8)19(16,17)13-7-9-4-2-3-5-18-9/h9,13H,2-7,12H2,1H3,(H,14,15)
InChIKeyJOQAMEJBJFLUDD-UHFFFAOYSA-N
XLogP0.74
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 80585796
3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 114142517
N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106027270
4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 107328091
4-methyl-2-oxo-N-(thian-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide
CID 80613260
3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106085721
3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 106090808
3-(aminomethyl)-N-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106035205
5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide
CID 106072242
3-(aminomethyl)-5-methyl-N-(3-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 106091380
2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 80613171
3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114109939

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 106072257) is 3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]nc(CN)c1S(=O)(=O)NCC1CCCCS1.
What is the InChIKey of 3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is JOQAMEJBJFLUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-8-11(10(6-12)15-14-8)19(16,17)13-7-9-4-2-3-5-18-9/h9,13H,2-7,12H2,1H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106072257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).