2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride

C13H20ClN3O2S — CID 120718656

IUPAC2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCl.O=S(=O)(c1cccnc1)N1CCC2(CCNCC2)C1
InChIInChI=1S/C13H19N3O2S.ClH/c17-19(18,12-2-1-6-15-10-12)16-9-5-13(11-16)3-7-14-8-4-13;/h1-2,6,10,14H,3-5,7-9,11H2;1H
InChIKeyVOLFBRMWVJPHTI-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.27
Rot. Bonds2

About 2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride

2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 120718656) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is 2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID120718656
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Name2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCl.O=S(=O)(c1cccnc1)N1CCC2(CCNCC2)C1
InChIInChI=1S/C13H19N3O2S.ClH/c17-19(18,12-2-1-6-15-10-12)16-9-5-13(11-16)3-7-14-8-4-13;/h1-2,6,10,14H,3-5,7-9,11H2;1H
InChIKeyVOLFBRMWVJPHTI-UHFFFAOYSA-N
XLogP1.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane
CID 71871364
3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride
CID 155843749
2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane
CID 82038202
2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120718665
1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine
CID 66195772
2-(4-nitrophenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120718684
2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 154906899
5-[5-(2,8-diazaspiro[4.5]decan-2-ylsulfonyl)furan-2-yl]-1,2-oxazole;hydrochloride
CID 154887704
N-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine
CID 155901000
N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720360
3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane
CID 131648490
1-piperazin-1-yl-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120982459

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride (CID 120718656) is 2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride is Cl.O=S(=O)(c1cccnc1)N1CCC2(CCNCC2)C1.
What is the InChIKey of 2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is VOLFBRMWVJPHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S.ClH/c17-19(18,12-2-1-6-15-10-12)16-9-5-13(11-16)3-7-14-8-4-13;/h1-2,6,10,14H,3-5,7-9,11H2;1H.
What are the key properties of 2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride?
2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 317.84 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 120718656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).