1-(1-methylpyrazol-4-yl)sulfonyl-6-(trifluoromethyl)piperidin-3-amine

C10H15F3N4O2S — CID 154735513

IUPAC1-(1-methylpyrazol-4-yl)sulfonyl-6-(trifluoromethyl)piperidin-3-amine
SMILESCn1cc(S(=O)(=O)N2CC(N)CCC2C(F)(F)F)cn1
InChIInChI=1S/C10H15F3N4O2S/c1-16-6-8(4-15-16)20(18,19)17-5-7(14)2-3-9(17)10(11,12)13/h4,6-7,9H,2-3,5,14H2,1H3
InChIKeyHAWUCBWRKIINHW-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.46
Rot. Bonds2

About 1-(1-methylpyrazol-4-yl)sulfonyl-6-(trifluoromethyl)piperidin-3-amine

1-(1-methylpyrazol-4-yl)sulfonyl-6-(trifluoromethyl)piperidin-3-amine (PubChem CID 154735513) has the molecular formula C10H15F3N4O2S and a molecular weight of 312.32 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)sulfonyl-6-(trifluoromethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)sulfonyl-6-(trifluoromethyl)piperidin-3-amine
PubChem CID154735513
Molecular FormulaC10H15F3N4O2S
Molecular Weight312.32 g/mol
Exact Mass312.09
IUPAC Name1-(1-methylpyrazol-4-yl)sulfonyl-6-(trifluoromethyl)piperidin-3-amine
SMILESCn1cc(S(=O)(=O)N2CC(N)CCC2C(F)(F)F)cn1
InChIInChI=1S/C10H15F3N4O2S/c1-16-6-8(4-15-16)20(18,19)17-5-7(14)2-3-9(17)10(11,12)13/h4,6-7,9H,2-3,5,14H2,1H3
InChIKeyHAWUCBWRKIINHW-UHFFFAOYSA-N
XLogP0.46
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonyl-6-(trifluoromethyl)piperidin-3-amine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonyl-6-(trifluoromethyl)piperidin-3-amine (CID 154735513) is 1-(1-methylpyrazol-4-yl)sulfonyl-6-(trifluoromethyl)piperidin-3-amine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)sulfonyl-6-(trifluoromethyl)piperidin-3-amine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)sulfonyl-6-(trifluoromethyl)piperidin-3-amine is Cn1cc(S(=O)(=O)N2CC(N)CCC2C(F)(F)F)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)sulfonyl-6-(trifluoromethyl)piperidin-3-amine?
The InChIKey is HAWUCBWRKIINHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S/c1-16-6-8(4-15-16)20(18,19)17-5-7(14)2-3-9(17)10(11,12)13/h4,6-7,9H,2-3,5,14H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)sulfonyl-6-(trifluoromethyl)piperidin-3-amine?
1-(1-methylpyrazol-4-yl)sulfonyl-6-(trifluoromethyl)piperidin-3-amine has a molecular weight of 312.32 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)sulfonyl-6-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 154735513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).