4-[4-(2-ethoxyethoxy)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine

C12H22N4O4S — CID 61108453

IUPAC4-[4-(2-ethoxyethoxy)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine
SMILESCCOCCOC1CCN(S(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C12H22N4O4S/c1-2-19-7-8-20-10-3-5-16(6-4-10)21(17,18)11-9-14-15-12(11)13/h9-10H,2-8H2,1H3,(H3,13,14,15)
InChIKeyNNSJBXMACYDGIY-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.20
Rot. Bonds7

About 4-[4-(2-ethoxyethoxy)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine

4-[4-(2-ethoxyethoxy)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine (PubChem CID 61108453) has the molecular formula C12H22N4O4S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[4-(2-ethoxyethoxy)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(2-ethoxyethoxy)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine
PubChem CID61108453
Molecular FormulaC12H22N4O4S
Molecular Weight318.40 g/mol
Exact Mass318.14
IUPAC Name4-[4-(2-ethoxyethoxy)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine
SMILESCCOCCOC1CCN(S(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C12H22N4O4S/c1-2-19-7-8-20-10-3-5-16(6-4-10)21(17,18)11-9-14-15-12(11)13/h9-10H,2-8H2,1H3,(H3,13,14,15)
InChIKeyNNSJBXMACYDGIY-UHFFFAOYSA-N
XLogP0.20
TPSA110.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethoxyethoxy)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-(2-ethoxyethoxy)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine (CID 61108453) is 4-[4-(2-ethoxyethoxy)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-(2-ethoxyethoxy)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-(2-ethoxyethoxy)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine is CCOCCOC1CCN(S(=O)(=O)c2cn[nH]c2N)CC1.
What is the InChIKey of 4-[4-(2-ethoxyethoxy)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine?
The InChIKey is NNSJBXMACYDGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4S/c1-2-19-7-8-20-10-3-5-16(6-4-10)21(17,18)11-9-14-15-12(11)13/h9-10H,2-8H2,1H3,(H3,13,14,15).
What are the key properties of 4-[4-(2-ethoxyethoxy)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine?
4-[4-(2-ethoxyethoxy)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine has a molecular weight of 318.40 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethoxyethoxy)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine is sourced from PubChem (CID 61108453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).