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

C12H22N4O2S2 — CID 106090808

IUPAC3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
SMILESCSC1CCC(NS(=O)(=O)c2c(CN)n[nH]c2C)CC1
InChIInChI=1S/C12H22N4O2S2/c1-8-12(11(7-13)15-14-8)20(17,18)16-9-3-5-10(19-2)6-4-9/h9-10,16H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyVJEZTUPRNMNVDT-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.13
Rot. Bonds5

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

3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide (PubChem CID 106090808) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
PubChem CID106090808
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC Name3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
SMILESCSC1CCC(NS(=O)(=O)c2c(CN)n[nH]c2C)CC1
InChIInChI=1S/C12H22N4O2S2/c1-8-12(11(7-13)15-14-8)20(17,18)16-9-3-5-10(19-2)6-4-9/h9-10,16H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyVJEZTUPRNMNVDT-UHFFFAOYSA-N
XLogP1.13
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-5-methyl-N-(3-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 106091380
4-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide
CID 106090791
3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114109939
3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide
CID 114135603
3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106072257
3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 114142517
5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
CID 106065204
5-methyl-3-(methylaminomethyl)-N-(3-methylcyclobutyl)-1H-pyrazole-4-sulfonamide
CID 113467562
3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide
CID 106218688
3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 106084016
5-methyl-N-(oxolan-3-yl)-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide
CID 106072521
3,5-dimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 72716268

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide (CID 106090808) is 3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide is CSC1CCC(NS(=O)(=O)c2c(CN)n[nH]c2C)CC1.
What is the InChIKey of 3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is VJEZTUPRNMNVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-8-12(11(7-13)15-14-8)20(17,18)16-9-3-5-10(19-2)6-4-9/h9-10,16H,3-7,13H2,1-2H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide?
3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 318.47 g/mol, XLogP of 1.13, 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-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106090808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).