1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-amine

C15H20N4O2S — CID 146681810

IUPAC1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-amine
SMILESCn1cc(-c2ccc(S(=O)(=O)N3CCC(N)CC3)cc2)cn1
InChIInChI=1S/C15H20N4O2S/c1-18-11-13(10-17-18)12-2-4-15(5-3-12)22(20,21)19-8-6-14(16)7-9-19/h2-5,10-11,14H,6-9,16H2,1H3
InChIKeyCQHNNTSMJPCWAI-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.20
Rot. Bonds3

About 1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-amine

1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-amine (PubChem CID 146681810) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-amine
PubChem CID146681810
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-amine
SMILESCn1cc(-c2ccc(S(=O)(=O)N3CCC(N)CC3)cc2)cn1
InChIInChI=1S/C15H20N4O2S/c1-18-11-13(10-17-18)12-2-4-15(5-3-12)22(20,21)19-8-6-14(16)7-9-19/h2-5,10-11,14H,6-9,16H2,1H3
InChIKeyCQHNNTSMJPCWAI-UHFFFAOYSA-N
XLogP1.20
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-amine?
The IUPAC name of 1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-amine (CID 146681810) is 1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-amine?
The canonical SMILES for 1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-amine is Cn1cc(-c2ccc(S(=O)(=O)N3CCC(N)CC3)cc2)cn1.
What is the InChIKey of 1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-amine?
The InChIKey is CQHNNTSMJPCWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-18-11-13(10-17-18)12-2-4-15(5-3-12)22(20,21)19-8-6-14(16)7-9-19/h2-5,10-11,14H,6-9,16H2,1H3.
What are the key properties of 1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-amine?
1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-amine has a molecular weight of 320.42 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-amine is sourced from PubChem (CID 146681810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).