3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide

C10H19N5O2S — CID 83012354

IUPAC3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NN2CCCCC2)c(N)n1
InChIInChI=1S/C10H19N5O2S/c1-2-14-8-9(10(11)12-14)18(16,17)13-15-6-4-3-5-7-15/h8,13H,2-7H2,1H3,(H2,11,12)
InChIKeyNVNALBWCDHJUAB-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.16
Rot. Bonds4

About 3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide

3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide (PubChem CID 83012354) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide
PubChem CID83012354
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NN2CCCCC2)c(N)n1
InChIInChI=1S/C10H19N5O2S/c1-2-14-8-9(10(11)12-14)18(16,17)13-15-6-4-3-5-7-15/h8,13H,2-7H2,1H3,(H2,11,12)
InChIKeyNVNALBWCDHJUAB-UHFFFAOYSA-N
XLogP0.16
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide (CID 83012354) is 3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NN2CCCCC2)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide?
The InChIKey is NVNALBWCDHJUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-2-14-8-9(10(11)12-14)18(16,17)13-15-6-4-3-5-7-15/h8,13H,2-7H2,1H3,(H2,11,12).
What are the key properties of 3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide?
3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 83012354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).