4-[[1-(tetrazol-1-yl)cyclohexanecarbonyl]amino]piperidine-1-sulfonyl fluoride

C13H21FN6O3S — CID 166414325

IUPAC4-[[1-(tetrazol-1-yl)cyclohexanecarbonyl]amino]piperidine-1-sulfonyl fluoride
SMILESO=C(NC1CCN(S(=O)(=O)F)CC1)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C13H21FN6O3S/c14-24(22,23)19-8-4-11(5-9-19)16-12(21)13(6-2-1-3-7-13)20-10-15-17-18-20/h10-11H,1-9H2,(H,16,21)
InChIKeyXAYMBRQHDQCAAB-UHFFFAOYSA-N
MW360.42 g/mol
LogP0.13
Rot. Bonds4

About 4-[[1-(tetrazol-1-yl)cyclohexanecarbonyl]amino]piperidine-1-sulfonyl fluoride

4-[[1-(tetrazol-1-yl)cyclohexanecarbonyl]amino]piperidine-1-sulfonyl fluoride (PubChem CID 166414325) has the molecular formula C13H21FN6O3S and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-[[1-(tetrazol-1-yl)cyclohexanecarbonyl]amino]piperidine-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-[[1-(tetrazol-1-yl)cyclohexanecarbonyl]amino]piperidine-1-sulfonyl fluoride
PubChem CID166414325
Molecular FormulaC13H21FN6O3S
Molecular Weight360.42 g/mol
Exact Mass360.14
IUPAC Name4-[[1-(tetrazol-1-yl)cyclohexanecarbonyl]amino]piperidine-1-sulfonyl fluoride
SMILESO=C(NC1CCN(S(=O)(=O)F)CC1)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C13H21FN6O3S/c14-24(22,23)19-8-4-11(5-9-19)16-12(21)13(6-2-1-3-7-13)20-10-15-17-18-20/h10-11H,1-9H2,(H,16,21)
InChIKeyXAYMBRQHDQCAAB-UHFFFAOYSA-N
XLogP0.13
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(tetrazol-1-yl)cyclohexanecarbonyl]amino]piperidine-1-sulfonyl fluoride?
The IUPAC name of 4-[[1-(tetrazol-1-yl)cyclohexanecarbonyl]amino]piperidine-1-sulfonyl fluoride (CID 166414325) is 4-[[1-(tetrazol-1-yl)cyclohexanecarbonyl]amino]piperidine-1-sulfonyl fluoride.
What is the SMILES notation for 4-[[1-(tetrazol-1-yl)cyclohexanecarbonyl]amino]piperidine-1-sulfonyl fluoride?
The canonical SMILES for 4-[[1-(tetrazol-1-yl)cyclohexanecarbonyl]amino]piperidine-1-sulfonyl fluoride is O=C(NC1CCN(S(=O)(=O)F)CC1)C1(n2cnnn2)CCCCC1.
What is the InChIKey of 4-[[1-(tetrazol-1-yl)cyclohexanecarbonyl]amino]piperidine-1-sulfonyl fluoride?
The InChIKey is XAYMBRQHDQCAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN6O3S/c14-24(22,23)19-8-4-11(5-9-19)16-12(21)13(6-2-1-3-7-13)20-10-15-17-18-20/h10-11H,1-9H2,(H,16,21).
What are the key properties of 4-[[1-(tetrazol-1-yl)cyclohexanecarbonyl]amino]piperidine-1-sulfonyl fluoride?
4-[[1-(tetrazol-1-yl)cyclohexanecarbonyl]amino]piperidine-1-sulfonyl fluoride has a molecular weight of 360.42 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(tetrazol-1-yl)cyclohexanecarbonyl]amino]piperidine-1-sulfonyl fluoride is sourced from PubChem (CID 166414325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).