8-(4-bromophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C13H17BrN2O3S — CID 59565094

IUPAC8-(4-bromophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC2(CC1)NCCO2
InChIInChI=1S/C13H17BrN2O3S/c14-11-1-3-12(4-2-11)20(17,18)16-8-5-13(6-9-16)15-7-10-19-13/h1-4,15H,5-10H2
InChIKeyPDGICBFKJUXQGJ-UHFFFAOYSA-N
MW361.26 g/mol
LogP1.55
Rot. Bonds2

About 8-(4-bromophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-(4-bromophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 59565094) has the molecular formula C13H17BrN2O3S and a molecular weight of 361.26 g/mol. Its IUPAC name is 8-(4-bromophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-bromophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID59565094
Molecular FormulaC13H17BrN2O3S
Molecular Weight361.26 g/mol
Exact Mass360.01
IUPAC Name8-(4-bromophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC2(CC1)NCCO2
InChIInChI=1S/C13H17BrN2O3S/c14-11-1-3-12(4-2-11)20(17,18)16-8-5-13(6-9-16)15-7-10-19-13/h1-4,15H,5-10H2
InChIKeyPDGICBFKJUXQGJ-UHFFFAOYSA-N
XLogP1.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3H-inden-1-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 91520241
4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine
CID 1257549
4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 22503089
N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 24695757
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
4-(4-bromophenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane
CID 4220097
(4-bromophenyl)-[8-(4-fluorophenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
CID 4551936
4-acetamidobenzenesulfonyl chloride;2-aminoethanol;1-[4-(ethylamino)phenyl]sulfonylpiperidin-4-one;N-[4-(1-oxa-4,8-diazaspiro[4.5]decan-8-ylsulfonyl)phenyl]acetamide;piperidin-4-one;hydrochloride
CID 159866529
9-(4-bromophenyl)sulfonyl-4-[1-(methoxymethyl)cyclopropyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 69086212
1-(4-bromophenyl)sulfonyl-4-[(oxetan-3-ylamino)methyl]piperidin-4-ol
CID 69082826
1-(4-bromophenyl)sulfonyl-4-[[(1-methylcyclopropyl)amino]methyl]piperidin-4-ol
CID 69082539
(4aS,8aR)-6-(4-bromophenyl)sulfonyl-2,2-dimethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[3,2-c]pyridine
CID 110157070

Frequently Asked Questions

What is the IUPAC name of 8-(4-bromophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(4-bromophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 59565094) is 8-(4-bromophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(4-bromophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(4-bromophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is O=S(=O)(c1ccc(Br)cc1)N1CCC2(CC1)NCCO2.
What is the InChIKey of 8-(4-bromophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is PDGICBFKJUXQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3S/c14-11-1-3-12(4-2-11)20(17,18)16-8-5-13(6-9-16)15-7-10-19-13/h1-4,15H,5-10H2.
What are the key properties of 8-(4-bromophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(4-bromophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 361.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 59565094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).