2-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzenesulfonamide

C12H17N3O2S — CID 162745740

IUPAC2-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1CN1CC2(CNC2)C1
InChIInChI=1S/C12H17N3O2S/c13-18(16,17)11-4-2-1-3-10(11)5-15-8-12(9-15)6-14-7-12/h1-4,14H,5-9H2,(H2,13,16,17)
InChIKeyQYFKHDUYXJBXQT-UHFFFAOYSA-N
MW267.35 g/mol
LogP-0.26
Rot. Bonds3

About 2-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzenesulfonamide

2-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzenesulfonamide (PubChem CID 162745740) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzenesulfonamide
PubChem CID162745740
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1CN1CC2(CNC2)C1
InChIInChI=1S/C12H17N3O2S/c13-18(16,17)11-4-2-1-3-10(11)5-15-8-12(9-15)6-14-7-12/h1-4,14H,5-9H2,(H2,13,16,17)
InChIKeyQYFKHDUYXJBXQT-UHFFFAOYSA-N
XLogP-0.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzenesulfonamide (CID 162745740) is 2-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzenesulfonamide is NS(=O)(=O)c1ccccc1CN1CC2(CNC2)C1.
What is the InChIKey of 2-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzenesulfonamide?
The InChIKey is QYFKHDUYXJBXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c13-18(16,17)11-4-2-1-3-10(11)5-15-8-12(9-15)6-14-7-12/h1-4,14H,5-9H2,(H2,13,16,17).
What are the key properties of 2-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzenesulfonamide?
2-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzenesulfonamide has a molecular weight of 267.35 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 162745740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).