1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane

C11H19N3O2S — CID 54929965

IUPAC1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane
SMILESCc1[nH]ncc1S(=O)(=O)N1CCCCCCC1
InChIInChI=1S/C11H19N3O2S/c1-10-11(9-12-13-10)17(15,16)14-7-5-3-2-4-6-8-14/h9H,2-8H2,1H3,(H,12,13)
InChIKeyFOFRUFLJARCTBR-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.67
Rot. Bonds2

About 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane

1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane (PubChem CID 54929965) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane.

Molecular Properties

Compound Name1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane
PubChem CID54929965
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane
SMILESCc1[nH]ncc1S(=O)(=O)N1CCCCCCC1
InChIInChI=1S/C11H19N3O2S/c1-10-11(9-12-13-10)17(15,16)14-7-5-3-2-4-6-8-14/h9H,2-8H2,1H3,(H,12,13)
InChIKeyFOFRUFLJARCTBR-UHFFFAOYSA-N
XLogP1.67
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine
CID 60910836
1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine
CID 63174913
3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol
CID 115872482
4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 63162213
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 62068447
(3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride
CID 119999942
(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 104975074
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol
CID 62916778
N-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 60958867
[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]methanamine
CID 116640169
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1H-pyrazole
CID 63400848
[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanol
CID 81208839

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane?
The IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane (CID 54929965) is 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane.
What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane?
The canonical SMILES for 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane is Cc1[nH]ncc1S(=O)(=O)N1CCCCCCC1.
What is the InChIKey of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane?
The InChIKey is FOFRUFLJARCTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-10-11(9-12-13-10)17(15,16)14-7-5-3-2-4-6-8-14/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane?
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane has a molecular weight of 257.36 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane is sourced from PubChem (CID 54929965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).