3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine

C15H28N4O2S — CID 71927290

IUPAC3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)C(C)C)CCC1NCc1cn[nH]c1C
InChIInChI=1S/C15H28N4O2S/c1-5-13-10-19(22(20,21)11(2)3)7-6-15(13)16-8-14-9-17-18-12(14)4/h9,11,13,15-16H,5-8,10H2,1-4H3,(H,17,18)
InChIKeyQYZWFSZFHYGESF-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.65
Rot. Bonds6

About 3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine

3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine (PubChem CID 71927290) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is 3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
PubChem CID71927290
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC Name3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)C(C)C)CCC1NCc1cn[nH]c1C
InChIInChI=1S/C15H28N4O2S/c1-5-13-10-19(22(20,21)11(2)3)7-6-15(13)16-8-14-9-17-18-12(14)4/h9,11,13,15-16H,5-8,10H2,1-4H3,(H,17,18)
InChIKeyQYZWFSZFHYGESF-UHFFFAOYSA-N
XLogP1.65
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
The IUPAC name of 3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine (CID 71927290) is 3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine.
What is the SMILES notation for 3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
The canonical SMILES for 3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine is CCC1CN(S(=O)(=O)C(C)C)CCC1NCc1cn[nH]c1C.
What is the InChIKey of 3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
The InChIKey is QYZWFSZFHYGESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2S/c1-5-13-10-19(22(20,21)11(2)3)7-6-15(13)16-8-14-9-17-18-12(14)4/h9,11,13,15-16H,5-8,10H2,1-4H3,(H,17,18).
What are the key properties of 3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine has a molecular weight of 328.48 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine is sourced from PubChem (CID 71927290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).