(5S)-7-(benzenesulfonyl)-2-methyl-2,7-diazaspiro[4.5]decane

C15H22N2O2S — CID 3233434

IUPAC(5S)-7-(benzenesulfonyl)-2-methyl-2,7-diazaspiro[4.5]decane
SMILESCN1CC[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1
InChIInChI=1S/C15H22N2O2S/c1-16-11-9-15(12-16)8-5-10-17(13-15)20(18,19)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/t15-/m0/s1
InChIKeyQRGYWMIGKGKQQX-HNNXBMFYSA-N
MW294.42 g/mol
LogP1.79
Rot. Bonds2

About (5S)-7-(benzenesulfonyl)-2-methyl-2,7-diazaspiro[4.5]decane

(5S)-7-(benzenesulfonyl)-2-methyl-2,7-diazaspiro[4.5]decane (PubChem CID 3233434) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (5S)-7-(benzenesulfonyl)-2-methyl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-7-(benzenesulfonyl)-2-methyl-2,7-diazaspiro[4.5]decane
PubChem CID3233434
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(5S)-7-(benzenesulfonyl)-2-methyl-2,7-diazaspiro[4.5]decane
SMILESCN1CC[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1
InChIInChI=1S/C15H22N2O2S/c1-16-11-9-15(12-16)8-5-10-17(13-15)20(18,19)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/t15-/m0/s1
InChIKeyQRGYWMIGKGKQQX-HNNXBMFYSA-N
XLogP1.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
N,3-Dimethyl-N-((1R)-1-methyl-3-(4-methyl-1-piperidinyl)propyl)benzenesulfonamide
CID 5312148
SB-258741
CID 9863250
4-Methyl-1-(phenylsulfonyl)piperidine
CID 761422
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
(1S,4S)-2-methyl-5-(4-neopentylphenylsulfonyl)-2,5-diazabicyclo[2.2.1]heptane
CID 46880402
1-[4-(Pyrrolidine-1-sulfonyl)-benzenesulfonyl]-piperidine
CID 1166875
4-Methyl-1-[4-(pyrrolidine-1-sulfonyl)-benzenesulfonyl]-piperidine
CID 1166972
(1S,4S)-2-(4-ethylphenylsulfonyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 25192961
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57393432
4-Methyl-1'-(phenylsulfonyl)-1,4'-bipiperidine
CID 118308417
4-Methyl-1-tosylpiperidine
CID 755367

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(benzenesulfonyl)-2-methyl-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-7-(benzenesulfonyl)-2-methyl-2,7-diazaspiro[4.5]decane (CID 3233434) is (5S)-7-(benzenesulfonyl)-2-methyl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-7-(benzenesulfonyl)-2-methyl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-7-(benzenesulfonyl)-2-methyl-2,7-diazaspiro[4.5]decane is CN1CC[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1.
What is the InChIKey of (5S)-7-(benzenesulfonyl)-2-methyl-2,7-diazaspiro[4.5]decane?
The InChIKey is QRGYWMIGKGKQQX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-16-11-9-15(12-16)8-5-10-17(13-15)20(18,19)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/t15-/m0/s1.
What are the key properties of (5S)-7-(benzenesulfonyl)-2-methyl-2,7-diazaspiro[4.5]decane?
(5S)-7-(benzenesulfonyl)-2-methyl-2,7-diazaspiro[4.5]decane has a molecular weight of 294.42 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(benzenesulfonyl)-2-methyl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 3233434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).