2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyethanamine

C12H22N4O3S — CID 82692274

IUPAC2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyethanamine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(OCCN)CC1
InChIInChI=1S/C12H22N4O3S/c1-9-12(10(2)15-14-9)20(17,18)16-6-3-11(4-7-16)19-8-5-13/h11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyLULLJTZQKZQWNV-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.15
Rot. Bonds5

About 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyethanamine

2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyethanamine (PubChem CID 82692274) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyethanamine.

Molecular Properties

Compound Name2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyethanamine
PubChem CID82692274
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyethanamine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(OCCN)CC1
InChIInChI=1S/C12H22N4O3S/c1-9-12(10(2)15-14-9)20(17,18)16-6-3-11(4-7-16)19-8-5-13/h11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyLULLJTZQKZQWNV-UHFFFAOYSA-N
XLogP0.15
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyethanamine?
The IUPAC name of 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyethanamine (CID 82692274) is 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyethanamine.
What is the SMILES notation for 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyethanamine?
The canonical SMILES for 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyethanamine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(OCCN)CC1.
What is the InChIKey of 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyethanamine?
The InChIKey is LULLJTZQKZQWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-9-12(10(2)15-14-9)20(17,18)16-6-3-11(4-7-16)19-8-5-13/h11H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyethanamine?
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyethanamine has a molecular weight of 302.40 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyethanamine is sourced from PubChem (CID 82692274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).