N-(1-oxa-7-azaspiro[3.5]nonan-2-ylmethyl)benzenesulfonamide

C14H20N2O3S — CID 155861594

IUPACN-(1-oxa-7-azaspiro[3.5]nonan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC2(CCNCC2)O1)c1ccccc1
InChIInChI=1S/C14H20N2O3S/c17-20(18,13-4-2-1-3-5-13)16-11-12-10-14(19-12)6-8-15-9-7-14/h1-5,12,15-16H,6-11H2
InChIKeyZYDVVJWRUNBJCF-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.88
Rot. Bonds4

About N-(1-oxa-7-azaspiro[3.5]nonan-2-ylmethyl)benzenesulfonamide

N-(1-oxa-7-azaspiro[3.5]nonan-2-ylmethyl)benzenesulfonamide (PubChem CID 155861594) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(1-oxa-7-azaspiro[3.5]nonan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-oxa-7-azaspiro[3.5]nonan-2-ylmethyl)benzenesulfonamide
PubChem CID155861594
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(1-oxa-7-azaspiro[3.5]nonan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC2(CCNCC2)O1)c1ccccc1
InChIInChI=1S/C14H20N2O3S/c17-20(18,13-4-2-1-3-5-13)16-11-12-10-14(19-12)6-8-15-9-7-14/h1-5,12,15-16H,6-11H2
InChIKeyZYDVVJWRUNBJCF-UHFFFAOYSA-N
XLogP0.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxa-7-azaspiro[3.5]nonan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(1-oxa-7-azaspiro[3.5]nonan-2-ylmethyl)benzenesulfonamide (CID 155861594) is N-(1-oxa-7-azaspiro[3.5]nonan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-oxa-7-azaspiro[3.5]nonan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(1-oxa-7-azaspiro[3.5]nonan-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CC2(CCNCC2)O1)c1ccccc1.
What is the InChIKey of N-(1-oxa-7-azaspiro[3.5]nonan-2-ylmethyl)benzenesulfonamide?
The InChIKey is ZYDVVJWRUNBJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c17-20(18,13-4-2-1-3-5-13)16-11-12-10-14(19-12)6-8-15-9-7-14/h1-5,12,15-16H,6-11H2.
What are the key properties of N-(1-oxa-7-azaspiro[3.5]nonan-2-ylmethyl)benzenesulfonamide?
N-(1-oxa-7-azaspiro[3.5]nonan-2-ylmethyl)benzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxa-7-azaspiro[3.5]nonan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 155861594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).