N-[1-(aminomethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide

C12H22N4O2S — CID 54929899

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1(CN)CCC(C)CC1
InChIInChI=1S/C12H22N4O2S/c1-9-3-5-12(8-13,6-4-9)16-19(17,18)11-7-14-15-10(11)2/h7,9,16H,3-6,8,13H2,1-2H3,(H,14,15)
InChIKeyDDCXZUOMEPPYIP-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.90
Rot. Bonds4

About N-[1-(aminomethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54929899) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54929899
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1(CN)CCC(C)CC1
InChIInChI=1S/C12H22N4O2S/c1-9-3-5-12(8-13,6-4-9)16-19(17,18)11-7-14-15-10(11)2/h7,9,16H,3-6,8,13H2,1-2H3,(H,14,15)
InChIKeyDDCXZUOMEPPYIP-UHFFFAOYSA-N
XLogP0.90
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cycloheptyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929898
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1H-pyrazole-4-sulfonamide
CID 62526726
N-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide
CID 43119831
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65121358
5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60912088
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide
CID 54937046
N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930247
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65121845
5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide
CID 79350868
N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54932976
N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide
CID 115695681
5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 79555430

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 54929899) is N-[1-(aminomethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC1(CN)CCC(C)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is DDCXZUOMEPPYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9-3-5-12(8-13,6-4-9)16-19(17,18)11-7-14-15-10(11)2/h7,9,16H,3-6,8,13H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54929899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).