3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide

C12H23N5O2S — CID 105358663

IUPAC3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2c(N)nn(C)c2C)C1
InChIInChI=1S/C12H23N5O2S/c1-4-17-7-5-6-10(8-17)15-20(18,19)11-9(2)16(3)14-12(11)13/h10,15H,4-8H2,1-3H3,(H2,13,14)
InChIKeySEZZHHFCXBSYLA-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.07
Rot. Bonds4

About 3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105358663) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105358663
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2c(N)nn(C)c2C)C1
InChIInChI=1S/C12H23N5O2S/c1-4-17-7-5-6-10(8-17)15-20(18,19)11-9(2)16(3)14-12(11)13/h10,15H,4-8H2,1-3H3,(H2,13,14)
InChIKeySEZZHHFCXBSYLA-UHFFFAOYSA-N
XLogP0.07
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(1-ethylpiperidin-3-yl)pyridine-2-sulfonamide
CID 103305213
3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide
CID 61170162
3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357939
3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358704
3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 105359128
3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide
CID 61171917
4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61169182
N-[1-(3,3-dimethylbutyl)azepan-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 70721972
4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 61476754
N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide
CID 61478239
N-(1-ethylpiperidin-3-yl)-3-(methylamino)pyridine-2-sulfonamide
CID 103305212
2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide
CID 61476840

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide (CID 105358663) is 3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide is CCN1CCCC(NS(=O)(=O)c2c(N)nn(C)c2C)C1.
What is the InChIKey of 3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is SEZZHHFCXBSYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-4-17-7-5-6-10(8-17)15-20(18,19)11-9(2)16(3)14-12(11)13/h10,15H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105358663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).