N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide

C18H26N2O3S — CID 97475709

IUPACN-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCO[C@]2(CCN(C3CCC3)C2)C1)c1ccccc1
InChIInChI=1S/C18H26N2O3S/c21-24(22,17-7-2-1-3-8-17)19-15-9-12-23-18(13-15)10-11-20(14-18)16-5-4-6-16/h1-3,7-8,15-16,19H,4-6,9-14H2/t15-,18-/m1/s1
InChIKeyCLMLFOXJGCDMOG-CRAIPNDOSA-N
MW350.48 g/mol
LogP2.14
Rot. Bonds4

About N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide

N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide (PubChem CID 97475709) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide
PubChem CID97475709
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCO[C@]2(CCN(C3CCC3)C2)C1)c1ccccc1
InChIInChI=1S/C18H26N2O3S/c21-24(22,17-7-2-1-3-8-17)19-15-9-12-23-18(13-15)10-11-20(14-18)16-5-4-6-16/h1-3,7-8,15-16,19H,4-6,9-14H2/t15-,18-/m1/s1
InChIKeyCLMLFOXJGCDMOG-CRAIPNDOSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118740866
8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118744794
3-[8-(Benzenesulfonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea
CID 118740954
N-[[1-[(3S)-oxolan-3-yl]piperidin-4-yl]methyl]benzenesulfonamide
CID 129524421
3-fluoro-N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)benzenesulfonamide
CID 126505667
4-fluoro-N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)benzenesulfonamide
CID 126506592
N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-4-fluoro-N-methylbenzenesulfinamide
CID 144029942
(3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97450586
(3S)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97450587
N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 155825508
N-[(5R,9R)-2-(cyclopropylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 155828702
N-[[(5R,7R)-2-(3-fluoropropanoyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzenesulfonamide
CID 155870715

Frequently Asked Questions

What is the IUPAC name of N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide?
The IUPAC name of N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide (CID 97475709) is N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide.
What is the SMILES notation for N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide?
The canonical SMILES for N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide is O=S(=O)(N[C@@H]1CCO[C@]2(CCN(C3CCC3)C2)C1)c1ccccc1.
What is the InChIKey of N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide?
The InChIKey is CLMLFOXJGCDMOG-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H26N2O3S/c21-24(22,17-7-2-1-3-8-17)19-15-9-12-23-18(13-15)10-11-20(14-18)16-5-4-6-16/h1-3,7-8,15-16,19H,4-6,9-14H2/t15-,18-/m1/s1.
What are the key properties of N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide?
N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide has a molecular weight of 350.48 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,9R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-9-yl]benzenesulfonamide is sourced from PubChem (CID 97475709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).