N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpyrazole-3-sulfonamide

C14H26N4O2S — CID 104709314

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpyrazole-3-sulfonamide
SMILESCCN(C1(CN)CCC(C)CC1)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C14H26N4O2S/c1-4-18(14(11-15)8-5-12(2)6-9-14)21(19,20)13-7-10-16-17(13)3/h7,10,12H,4-6,8-9,11,15H2,1-3H3
InChIKeyJVVGUVJNADEDNM-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.34
Rot. Bonds5

About N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpyrazole-3-sulfonamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpyrazole-3-sulfonamide (PubChem CID 104709314) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpyrazole-3-sulfonamide
PubChem CID104709314
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpyrazole-3-sulfonamide
SMILESCCN(C1(CN)CCC(C)CC1)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C14H26N4O2S/c1-4-18(14(11-15)8-5-12(2)6-9-14)21(19,20)13-7-10-16-17(13)3/h7,10,12H,4-6,8-9,11,15H2,1-3H3
InChIKeyJVVGUVJNADEDNM-UHFFFAOYSA-N
XLogP1.34
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)-3-methylcyclohexyl]-N,2-dimethylpyrazole-3-sulfonamide
CID 104709315
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylcyclopentanesulfonamide
CID 105360484
4-methyl-1-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 104709737
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide
CID 62009615
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide
CID 104709256
N-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride
CID 120710548
N-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62063832
ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate
CID 104710366
N-[1-(aminomethyl)cyclohexyl]-N-ethyl-1-methylimidazole-4-sulfonamide
CID 62374778
1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62128099
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
N-(3-amino-2-methylpropyl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104709309

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpyrazole-3-sulfonamide (CID 104709314) is N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpyrazole-3-sulfonamide is CCN(C1(CN)CCC(C)CC1)S(=O)(=O)c1ccnn1C.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpyrazole-3-sulfonamide?
The InChIKey is JVVGUVJNADEDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-4-18(14(11-15)8-5-12(2)6-9-14)21(19,20)13-7-10-16-17(13)3/h7,10,12H,4-6,8-9,11,15H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpyrazole-3-sulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpyrazole-3-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104709314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).