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

C11H20N4O2S2 — CID 106078610

IUPAC4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)NCC2CCSCC2)c1CN
InChIInChI=1S/C11H20N4O2S2/c1-8-10(6-12)11(15-14-8)19(16,17)13-7-9-2-4-18-5-3-9/h9,13H,2-7,12H2,1H3,(H,14,15)
InChIKeyLFYKWFDNUZALKX-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.60
Rot. Bonds5

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

4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide (PubChem CID 106078610) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide
PubChem CID106078610
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC Name4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)NCC2CCSCC2)c1CN
InChIInChI=1S/C11H20N4O2S2/c1-8-10(6-12)11(15-14-8)19(16,17)13-7-9-2-4-18-5-3-9/h9,13H,2-7,12H2,1H3,(H,14,15)
InChIKeyLFYKWFDNUZALKX-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106026981
5-methyl-4-(methylaminomethyl)-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106078547
3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 114142517
4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106053103
5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106052878
4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 114142092
4-(ethylaminomethyl)-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106062981
4-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide
CID 106090791
4-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-3-sulfonamide
CID 106055894
4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106071409
4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-sulfonamide
CID 107818690
4-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide
CID 106065157

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide (CID 106078610) is 4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide is Cc1[nH]nc(S(=O)(=O)NCC2CCSCC2)c1CN.
What is the InChIKey of 4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide?
The InChIKey is LFYKWFDNUZALKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-8-10(6-12)11(15-14-8)19(16,17)13-7-9-2-4-18-5-3-9/h9,13H,2-7,12H2,1H3,(H,14,15).
What are the key properties of 4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide?
4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106078610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).