N-ethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzenesulfonamide

C16H24N2O3S — CID 126505909

IUPACN-ethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzenesulfonamide
SMILESCCN([C@H]1COC2(CCNCC2)C1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H24N2O3S/c1-2-18(22(19,20)15-6-4-3-5-7-15)14-12-16(21-13-14)8-10-17-11-9-16/h3-7,14,17H,2,8-13H2,1H3/t14-/m1/s1
InChIKeyRYDBRGKMTACAPF-CQSZACIVSA-N
MW324.45 g/mol
LogP1.61
Rot. Bonds4

About N-ethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzenesulfonamide

N-ethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzenesulfonamide (PubChem CID 126505909) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-ethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzenesulfonamide
PubChem CID126505909
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-ethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzenesulfonamide
SMILESCCN([C@H]1COC2(CCNCC2)C1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H24N2O3S/c1-2-18(22(19,20)15-6-4-3-5-7-15)14-12-16(21-13-14)8-10-17-11-9-16/h3-7,14,17H,2,8-13H2,1H3/t14-/m1/s1
InChIKeyRYDBRGKMTACAPF-CQSZACIVSA-N
XLogP1.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[benzenesulfonyl(ethyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 126505839
N-ethyl-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)methanesulfonamide
CID 73440496
N-cyclopropyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79717324
N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806933
3-N-ethyl-3-N-(oxetan-3-yl)benzene-1,3-disulfonamide
CID 166235680
(3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane
CID 124703511
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide
CID 66184477
N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide
CID 66183635
N-(1-oxa-7-azaspiro[3.5]nonan-2-ylmethyl)benzenesulfonamide
CID 155861594
N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 156778109
[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] (3R)-3-[benzenesulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 126502756
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzenesulfonamide?
The IUPAC name of N-ethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzenesulfonamide (CID 126505909) is N-ethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzenesulfonamide?
The canonical SMILES for N-ethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzenesulfonamide is CCN([C@H]1COC2(CCNCC2)C1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-ethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzenesulfonamide?
The InChIKey is RYDBRGKMTACAPF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-2-18(22(19,20)15-6-4-3-5-7-15)14-12-16(21-13-14)8-10-17-11-9-16/h3-7,14,17H,2,8-13H2,1H3/t14-/m1/s1.
What are the key properties of N-ethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzenesulfonamide?
N-ethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzenesulfonamide is sourced from PubChem (CID 126505909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).