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

C12H22N4O2S2 — CID 106090791

IUPAC4-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide
SMILESCSC1CCC(NS(=O)(=O)c2n[nH]c(C)c2CN)CC1
InChIInChI=1S/C12H22N4O2S2/c1-8-11(7-13)12(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)
InChIKeyHPZBJLUWJVILSH-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.13
Rot. Bonds5

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

4-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide (PubChem CID 106090791) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 4-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide
PubChem CID106090791
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC Name4-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide
SMILESCSC1CCC(NS(=O)(=O)c2n[nH]c(C)c2CN)CC1
InChIInChI=1S/C12H22N4O2S2/c1-8-11(7-13)12(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)
InChIKeyHPZBJLUWJVILSH-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

4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106053103
3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 106090808
4-(hydroxymethyl)-5-methyl-N-(3-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide
CID 106001245
5-methyl-4-(methylaminomethyl)-N-(3-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide
CID 106091335
4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106071409
4-(aminomethyl)-N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106026981
N-(4-ethylcyclohexyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106053045
4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106078610
3-(aminomethyl)-5-methyl-N-(3-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 106091380
4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 114142092
4-(aminomethyl)-N-(1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106068334
3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106090779

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide (CID 106090791) is 4-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide is CSC1CCC(NS(=O)(=O)c2n[nH]c(C)c2CN)CC1.
What is the InChIKey of 4-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide?
The InChIKey is HPZBJLUWJVILSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-8-11(7-13)12(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 4-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide?
4-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-3-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 4-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106090791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).