N-[7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide

C20H30N2O3S — CID 118742513

IUPACN-[7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCC12CCN(CC1CCOCC1)CC2)c1ccccc1
InChIInChI=1S/C20H30N2O3S/c23-26(24,18-4-2-1-3-5-18)21-19-6-9-20(19)10-12-22(13-11-20)16-17-7-14-25-15-8-17/h1-5,17,19,21H,6-16H2
InChIKeyZYOULQABISIXEM-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.64
Rot. Bonds5

About N-[7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide

N-[7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide (PubChem CID 118742513) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-[7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
PubChem CID118742513
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC NameN-[7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCC12CCN(CC1CCOCC1)CC2)c1ccccc1
InChIInChI=1S/C20H30N2O3S/c23-26(24,18-4-2-1-3-5-18)21-19-6-9-20(19)10-12-22(13-11-20)16-17-7-14-25-15-8-17/h1-5,17,19,21H,6-16H2
InChIKeyZYOULQABISIXEM-UHFFFAOYSA-N
XLogP2.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
The IUPAC name of N-[7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide (CID 118742513) is N-[7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
The canonical SMILES for N-[7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide is O=S(=O)(NC1CCC12CCN(CC1CCOCC1)CC2)c1ccccc1.
What is the InChIKey of N-[7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
The InChIKey is ZYOULQABISIXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c23-26(24,18-4-2-1-3-5-18)21-19-6-9-20(19)10-12-22(13-11-20)16-17-7-14-25-15-8-17/h1-5,17,19,21H,6-16H2.
What are the key properties of N-[7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
N-[7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide has a molecular weight of 378.54 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide is sourced from PubChem (CID 118742513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).