3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide

C13H24N4O2S — CID 105358704

IUPAC3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C13H24N4O2S/c1-4-10-7-5-6-8-11(10)16-20(18,19)12-9(2)17(3)15-13(12)14/h10-11,16H,4-8H2,1-3H3,(H2,14,15)
InChIKeySOIHQJNRSOWKOV-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.56
Rot. Bonds4

About 3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105358704) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105358704
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C13H24N4O2S/c1-4-10-7-5-6-8-11(10)16-20(18,19)12-9(2)17(3)15-13(12)14/h10-11,16H,4-8H2,1-3H3,(H2,14,15)
InChIKeySOIHQJNRSOWKOV-UHFFFAOYSA-N
XLogP1.56
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 103835944
3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358663
3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357939
3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide
CID 61466577
4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide
CID 61466502
N-[2-(dimethylamino)cyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 126826994
3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 105359128
2-amino-N-(2-ethylcyclohexyl)pyrimidine-5-sulfonamide
CID 62153641
3-amino-N-(2-cyclopropylethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359042
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358853
N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104953256
3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357969

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 105358704) is 3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide is CCC1CCCCC1NS(=O)(=O)c1c(N)nn(C)c1C.
What is the InChIKey of 3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is SOIHQJNRSOWKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-10-7-5-6-8-11(10)16-20(18,19)12-9(2)17(3)15-13(12)14/h10-11,16H,4-8H2,1-3H3,(H2,14,15).
What are the key properties of 3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105358704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).