N-[1-(aminomethyl)-3-methylcyclohexyl]-N,2-dimethylpyrazole-3-sulfonamide

C13H24N4O2S — CID 104709315

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-N,2-dimethylpyrazole-3-sulfonamide
SMILESCC1CCCC(CN)(N(C)S(=O)(=O)c2ccnn2C)C1
InChIInChI=1S/C13H24N4O2S/c1-11-5-4-7-13(9-11,10-14)17(3)20(18,19)12-6-8-15-16(12)2/h6,8,11H,4-5,7,9-10,14H2,1-3H3
InChIKeyVLGNKOYTJXZHOY-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.95
Rot. Bonds4

About N-[1-(aminomethyl)-3-methylcyclohexyl]-N,2-dimethylpyrazole-3-sulfonamide

N-[1-(aminomethyl)-3-methylcyclohexyl]-N,2-dimethylpyrazole-3-sulfonamide (PubChem CID 104709315) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-N,2-dimethylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-N,2-dimethylpyrazole-3-sulfonamide
PubChem CID104709315
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-N,2-dimethylpyrazole-3-sulfonamide
SMILESCC1CCCC(CN)(N(C)S(=O)(=O)c2ccnn2C)C1
InChIInChI=1S/C13H24N4O2S/c1-11-5-4-7-13(9-11,10-14)17(3)20(18,19)12-6-8-15-16(12)2/h6,8,11H,4-5,7,9-10,14H2,1-3H3
InChIKeyVLGNKOYTJXZHOY-UHFFFAOYSA-N
XLogP0.95
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-N,2-dimethylpyrazole-3-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-N,2-dimethylpyrazole-3-sulfonamide (CID 104709315) is N-[1-(aminomethyl)-3-methylcyclohexyl]-N,2-dimethylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-N,2-dimethylpyrazole-3-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-N,2-dimethylpyrazole-3-sulfonamide is CC1CCCC(CN)(N(C)S(=O)(=O)c2ccnn2C)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-N,2-dimethylpyrazole-3-sulfonamide?
The InChIKey is VLGNKOYTJXZHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-11-5-4-7-13(9-11,10-14)17(3)20(18,19)12-6-8-15-16(12)2/h6,8,11H,4-5,7,9-10,14H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-N,2-dimethylpyrazole-3-sulfonamide?
N-[1-(aminomethyl)-3-methylcyclohexyl]-N,2-dimethylpyrazole-3-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-N,2-dimethylpyrazole-3-sulfonamide is sourced from PubChem (CID 104709315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).