1-(1-propan-2-ylpyrazol-4-yl)sulfonylazepane

C12H21N3O2S — CID 71688405

IUPAC1-(1-propan-2-ylpyrazol-4-yl)sulfonylazepane
SMILESCC(C)n1cc(S(=O)(=O)N2CCCCCC2)cn1
InChIInChI=1S/C12H21N3O2S/c1-11(2)15-10-12(9-13-15)18(16,17)14-7-5-3-4-6-8-14/h9-11H,3-8H2,1-2H3
InChIKeyZXHKVAKFSSEXJF-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.03
Rot. Bonds3

About 1-(1-propan-2-ylpyrazol-4-yl)sulfonylazepane

1-(1-propan-2-ylpyrazol-4-yl)sulfonylazepane (PubChem CID 71688405) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrazol-4-yl)sulfonylazepane.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrazol-4-yl)sulfonylazepane
PubChem CID71688405
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-(1-propan-2-ylpyrazol-4-yl)sulfonylazepane
SMILESCC(C)n1cc(S(=O)(=O)N2CCCCCC2)cn1
InChIInChI=1S/C12H21N3O2S/c1-11(2)15-10-12(9-13-15)18(16,17)14-7-5-3-4-6-8-14/h9-11H,3-8H2,1-2H3
InChIKeyZXHKVAKFSSEXJF-UHFFFAOYSA-N
XLogP2.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-cyclopentyl-1-ethyl-1H-pyrazole-4-sulfonamide
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1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
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1-cyclopentyl-1H-pyrazole-4-sulfonamide
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1-ethyl-1H-pyrazole-4-sulfonamide
CID 17262698
1-Propyl-1H-pyrazole-4-sulfonyl chloride
CID 19576718
1-((1-methyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine hydrochloride
CID 53536972
1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 54595051
1-(propan-2-yl)-1H-pyrazole-4-sulfonamide
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1-cyclobutyl-1H-pyrazole-4-sulfonyl chloride
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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpyrazol-4-yl)sulfonylazepane?
The IUPAC name of 1-(1-propan-2-ylpyrazol-4-yl)sulfonylazepane (CID 71688405) is 1-(1-propan-2-ylpyrazol-4-yl)sulfonylazepane.
What is the SMILES notation for 1-(1-propan-2-ylpyrazol-4-yl)sulfonylazepane?
The canonical SMILES for 1-(1-propan-2-ylpyrazol-4-yl)sulfonylazepane is CC(C)n1cc(S(=O)(=O)N2CCCCCC2)cn1.
What is the InChIKey of 1-(1-propan-2-ylpyrazol-4-yl)sulfonylazepane?
The InChIKey is ZXHKVAKFSSEXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-11(2)15-10-12(9-13-15)18(16,17)14-7-5-3-4-6-8-14/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylpyrazol-4-yl)sulfonylazepane?
1-(1-propan-2-ylpyrazol-4-yl)sulfonylazepane has a molecular weight of 271.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrazol-4-yl)sulfonylazepane is sourced from PubChem (CID 71688405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).