1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-4-ol

C9H16N4O3S — CID 81096526

IUPAC1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C9H16N4O3S/c1-9(14)2-4-13(5-3-9)17(15,16)7-6-11-12-8(7)10/h6,14H,2-5H2,1H3,(H3,10,11,12)
InChIKeyLPBVMPMPCUWQRS-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.47
Rot. Bonds2

About 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-4-ol

1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-4-ol (PubChem CID 81096526) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-4-ol
PubChem CID81096526
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C9H16N4O3S/c1-9(14)2-4-13(5-3-9)17(15,16)7-6-11-12-8(7)10/h6,14H,2-5H2,1H3,(H3,10,11,12)
InChIKeyLPBVMPMPCUWQRS-UHFFFAOYSA-N
XLogP-0.47
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-4-ol (CID 81096526) is 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-4-ol is CC1(O)CCN(S(=O)(=O)c2cn[nH]c2N)CC1.
What is the InChIKey of 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-4-ol?
The InChIKey is LPBVMPMPCUWQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-9(14)2-4-13(5-3-9)17(15,16)7-6-11-12-8(7)10/h6,14H,2-5H2,1H3,(H3,10,11,12).
What are the key properties of 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-4-ol?
1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-4-ol has a molecular weight of 260.32 g/mol, XLogP of -0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81096526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).