2-benzylsulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane

C18H28N2O2S — CID 134078815

IUPAC2-benzylsulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CN1CCC2(CC1)CN(S(=O)(=O)Cc1ccccc1)C2
InChIInChI=1S/C18H28N2O2S/c1-16(2)12-19-10-8-18(9-11-19)14-20(15-18)23(21,22)13-17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3
InChIKeyZWHZEQDDCLDHMN-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.57
Rot. Bonds5

About 2-benzylsulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane

2-benzylsulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane (PubChem CID 134078815) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 2-benzylsulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-benzylsulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane
PubChem CID134078815
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name2-benzylsulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CN1CCC2(CC1)CN(S(=O)(=O)Cc1ccccc1)C2
InChIInChI=1S/C18H28N2O2S/c1-16(2)12-19-10-8-18(9-11-19)14-20(15-18)23(21,22)13-17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3
InChIKeyZWHZEQDDCLDHMN-UHFFFAOYSA-N
XLogP2.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenylmethanesulfonyl-piperidine
CID 273955
3-[1-(3-Phenylprop-2-yn-1-yl)piperidinium-1-yl]propane-1-sulfonate
CID 4642982
1-Benzylsulfonyl-4-ethylpiperazine
CID 645383
4-Benzyl-1-(benzylsulfonyl)piperidine
CID 669284
1-(4-Methyl-cyclohexyl)-4-phenylmethanesulfonyl-piperazine
CID 1151775
4-Benzyl-1-(2-phenylethenesulfonyl)piperidine
CID 2475510
1-Ethylsulfonyl-4-(4-phenylbutan-2-yl)piperazine
CID 2902684
7-(Benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane
CID 3232803
4-Benzyl-1-[(3-methylphenyl)methylsulfonyl]piperidine
CID 71699219
4-Benzyl-1-(2-phenylethylsulfonyl)piperidine
CID 71699220
1-(Benzylsulfonyl)-4-(butan-2-yl)piperazine
CID 3145554
2-Benzyl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane
CID 3234950

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-benzylsulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane (CID 134078815) is 2-benzylsulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-benzylsulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-benzylsulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane is CC(C)CN1CCC2(CC1)CN(S(=O)(=O)Cc1ccccc1)C2.
What is the InChIKey of 2-benzylsulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane?
The InChIKey is ZWHZEQDDCLDHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-16(2)12-19-10-8-18(9-11-19)14-20(15-18)23(21,22)13-17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3.
What are the key properties of 2-benzylsulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane?
2-benzylsulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane has a molecular weight of 336.50 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 134078815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).