N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine

C15H28N4O2S — CID 86808103

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NCc2cnn(C(C)(C)C)c2)CC1
InChIInChI=1S/C15H28N4O2S/c1-5-22(20,21)18-8-6-14(7-9-18)16-10-13-11-17-19(12-13)15(2,3)4/h11-12,14,16H,5-10H2,1-4H3
InChIKeyIYGDDEYRXRNFRJ-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.54
Rot. Bonds5

About N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine

N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine (PubChem CID 86808103) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine
PubChem CID86808103
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NCc2cnn(C(C)(C)C)c2)CC1
InChIInChI=1S/C15H28N4O2S/c1-5-22(20,21)18-8-6-14(7-9-18)16-10-13-11-17-19(12-13)15(2,3)4/h11-12,14,16H,5-10H2,1-4H3
InChIKeyIYGDDEYRXRNFRJ-UHFFFAOYSA-N
XLogP1.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine (CID 86808103) is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine is CCS(=O)(=O)N1CCC(NCc2cnn(C(C)(C)C)c2)CC1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine?
The InChIKey is IYGDDEYRXRNFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2S/c1-5-22(20,21)18-8-6-14(7-9-18)16-10-13-11-17-19(12-13)15(2,3)4/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine?
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine has a molecular weight of 328.48 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine is sourced from PubChem (CID 86808103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).