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

C17H26N2O2S — CID 3232803

IUPAC7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CN1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C17H26N2O2S/c1-15(2)12-18-13-17(14-18)8-10-19(11-9-17)22(20,21)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyGVNYOIRBASBAGD-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.43
Rot. Bonds4

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

7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane (PubChem CID 3232803) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane
PubChem CID3232803
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CN1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C17H26N2O2S/c1-15(2)12-18-13-17(14-18)8-10-19(11-9-17)22(20,21)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyGVNYOIRBASBAGD-UHFFFAOYSA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane (CID 3232803) is 7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane is CC(C)CN1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1.
What is the InChIKey of 7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane?
The InChIKey is GVNYOIRBASBAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-15(2)12-18-13-17(14-18)8-10-19(11-9-17)22(20,21)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3.
What are the key properties of 7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane?
7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane has a molecular weight of 322.47 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 3232803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).