8-[(6-chloro-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decane

C14H19ClN2O2S — CID 63160154

IUPAC8-[(6-chloro-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(Cl)nc1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C14H19ClN2O2S/c15-13-4-3-12(11-16-13)20(18,19)17-9-7-14(8-10-17)5-1-2-6-14/h3-4,11H,1-2,5-10H2
InChIKeyIXLJNLZKYZCATM-UHFFFAOYSA-N
MW314.84 g/mol
LogP3.08
Rot. Bonds2

About 8-[(6-chloro-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decane

8-[(6-chloro-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decane (PubChem CID 63160154) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 8-[(6-chloro-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(6-chloro-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decane
PubChem CID63160154
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name8-[(6-chloro-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(Cl)nc1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C14H19ClN2O2S/c15-13-4-3-12(11-16-13)20(18,19)17-9-7-14(8-10-17)5-1-2-6-14/h3-4,11H,1-2,5-10H2
InChIKeyIXLJNLZKYZCATM-UHFFFAOYSA-N
XLogP3.08
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(6-chloro-3-pyridinyl)sulfonyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 7509881
5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline
CID 63156801
4-[(6-chloro-3-pyridinyl)sulfonyl]-2,2-dimethylthiomorpholine
CID 115683090
1-benzyl-4-[(6-chloro-3-pyridinyl)sulfonyl]piperazine
CID 26945817
2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine
CID 47320753
[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 43590367
tert-butyl 4-[(6-chloro-3-pyridinyl)sulfonyl]piperazine-1-carboxylate
CID 11739940
4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-N-methylpyridin-2-amine
CID 63162051
5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine
CID 115774315
5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane
CID 133480963
6-chloropyridine-3-sulfonic acid
CID 2762861
2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane
CID 71871364

Frequently Asked Questions

What is the IUPAC name of 8-[(6-chloro-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(6-chloro-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decane (CID 63160154) is 8-[(6-chloro-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(6-chloro-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(6-chloro-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decane is O=S(=O)(c1ccc(Cl)nc1)N1CCC2(CCCC2)CC1.
What is the InChIKey of 8-[(6-chloro-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decane?
The InChIKey is IXLJNLZKYZCATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c15-13-4-3-12(11-16-13)20(18,19)17-9-7-14(8-10-17)5-1-2-6-14/h3-4,11H,1-2,5-10H2.
What are the key properties of 8-[(6-chloro-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decane?
8-[(6-chloro-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decane has a molecular weight of 314.84 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-chloro-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decane is sourced from PubChem (CID 63160154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).