3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride

C15H23ClN2O2S — CID 155843749

IUPAC3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C15H22N2O2S.ClH/c18-20(19,14-4-2-1-3-5-14)17-12-8-15(9-13-17)6-10-16-11-7-15;/h1-5,16H,6-13H2;1H
InChIKeyFNKLPFPXCLZUKH-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.26
Rot. Bonds2

About 3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride

3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride (PubChem CID 155843749) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride.

Molecular Properties

Compound Name3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride
PubChem CID155843749
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C15H22N2O2S.ClH/c18-20(19,14-4-2-1-3-5-14)17-12-8-15(9-13-17)6-10-16-11-7-15;/h1-5,16H,6-13H2;1H
InChIKeyFNKLPFPXCLZUKH-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane
CID 82038202
7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane
CID 97399392
2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120718656
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
2-(4-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120718665
9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 3233376
2-(4-nitrophenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120718684
[4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120616987
2-(benzenesulfonyl)-3,3-dimethyl-2,9-diazaspiro[5.5]undecane
CID 110160688
1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97385294
1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
CID 13427462
7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3235527

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride?
The IUPAC name of 3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride (CID 155843749) is 3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride.
What is the SMILES notation for 3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride?
The canonical SMILES for 3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride is Cl.O=S(=O)(c1ccccc1)N1CCC2(CCNCC2)CC1.
What is the InChIKey of 3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride?
The InChIKey is FNKLPFPXCLZUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S.ClH/c18-20(19,14-4-2-1-3-5-14)17-12-8-15(9-13-17)6-10-16-11-7-15;/h1-5,16H,6-13H2;1H.
What are the key properties of 3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride?
3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride is sourced from PubChem (CID 155843749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).