9-(benzenesulfonyl)-2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane

C19H30N2O2S — CID 3232661

IUPAC9-(benzenesulfonyl)-2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane
SMILESCC(C)CN1CCCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C19H30N2O2S/c1-17(2)15-20-12-6-9-19(16-20)10-13-21(14-11-19)24(22,23)18-7-4-3-5-8-18/h3-5,7-8,17H,6,9-16H2,1-2H3
InChIKeyNXHRDMHMJFKRAZ-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.21
Rot. Bonds4

About 9-(benzenesulfonyl)-2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane

9-(benzenesulfonyl)-2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane (PubChem CID 3232661) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(benzenesulfonyl)-2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane
PubChem CID3232661
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name9-(benzenesulfonyl)-2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane
SMILESCC(C)CN1CCCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C19H30N2O2S/c1-17(2)15-20-12-6-9-19(16-20)10-13-21(14-11-19)24(22,23)18-7-4-3-5-8-18/h3-5,7-8,17H,6,9-16H2,1-2H3
InChIKeyNXHRDMHMJFKRAZ-UHFFFAOYSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.21
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
4-Methyl-1-(phenylsulfonyl)piperidine
CID 761422
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
N-(dipiperidin-1-yl-lambda~4~-sulfanylidene)benzenesulfonamide
CID 2830961
[1-(Phenylsulfonyl)-4-piperidinyl](piperidino)methanone
CID 1084367
N,N-Dimethyl-3-((S)-1-propyl-piperidin-3-yl)-benzenesulfonamide
CID 10018300
1-(Benzenesulfonyl)-4-benzylpiperidine
CID 727417
4-Methyl-1-[4-(pyrrolidine-1-sulfonyl)-benzenesulfonyl]-piperidine
CID 1166972
4-Methyl-1'-(4-trifluoromethyl-benzenesulfonyl)-[1,4']bipiperidinyl
CID 1433359
4-Methyl-1'-(phenylsulfonyl)-1,4'-bipiperidine
CID 118308417

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(benzenesulfonyl)-2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane (CID 3232661) is 9-(benzenesulfonyl)-2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(benzenesulfonyl)-2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(benzenesulfonyl)-2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane is CC(C)CN1CCCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1.
What is the InChIKey of 9-(benzenesulfonyl)-2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane?
The InChIKey is NXHRDMHMJFKRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-17(2)15-20-12-6-9-19(16-20)10-13-21(14-11-19)24(22,23)18-7-4-3-5-8-18/h3-5,7-8,17H,6,9-16H2,1-2H3.
What are the key properties of 9-(benzenesulfonyl)-2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane?
9-(benzenesulfonyl)-2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane has a molecular weight of 350.53 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 3232661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).