(4S)-4-(benzenesulfonyl)-1,10-dioxaspiro[4.5]decane

C14H18O4S — CID 15062011

IUPAC(4S)-4-(benzenesulfonyl)-1,10-dioxaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)[C@H]1CCOC12CCCCO2
InChIInChI=1S/C14H18O4S/c15-19(16,12-6-2-1-3-7-12)13-8-11-18-14(13)9-4-5-10-17-14/h1-3,6-7,13H,4-5,8-11H2/t13-,14?/m0/s1
InChIKeyMCWLIYQEEWORNI-LSLKUGRBSA-N
MW282.36 g/mol
LogP2.15
Rot. Bonds2

About (4S)-4-(benzenesulfonyl)-1,10-dioxaspiro[4.5]decane

(4S)-4-(benzenesulfonyl)-1,10-dioxaspiro[4.5]decane (PubChem CID 15062011) has the molecular formula C14H18O4S and a molecular weight of 282.36 g/mol. Its IUPAC name is (4S)-4-(benzenesulfonyl)-1,10-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(4S)-4-(benzenesulfonyl)-1,10-dioxaspiro[4.5]decane
PubChem CID15062011
Molecular FormulaC14H18O4S
Molecular Weight282.36 g/mol
Exact Mass282.09
IUPAC Name(4S)-4-(benzenesulfonyl)-1,10-dioxaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)[C@H]1CCOC12CCCCO2
InChIInChI=1S/C14H18O4S/c15-19(16,12-6-2-1-3-7-12)13-8-11-18-14(13)9-4-5-10-17-14/h1-3,6-7,13H,4-5,8-11H2/t13-,14?/m0/s1
InChIKeyMCWLIYQEEWORNI-LSLKUGRBSA-N
XLogP2.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(+-)-endo-7-Ethyl-5-methyl-3-(phenylsulfonyl)-6,8-dioxa-bicyclo[3.2.1]octan
CID 366363
Zqqpczykpljyiy-cvearbpzsa-
CID 11197672
(2R,3S,6R,8S,9R)-2-[(2S)-1-(benzenesulfonyl)propan-2-yl]-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecane
CID 10939278
(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-2-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran
CID 11327296
(4R,6R)-4-(benzenesulfinyl)-6-methyl-1,10-dioxaspiro[4.5]decane
CID 13924998
(2R,4R,5R)-2-methyl-4-[(S)-phenylsulfinyl]-1,10-dioxaspiro[4.5]decane
CID 14212295
(2R,4aR,6S,8aR)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CID 25197716
4-(Phenylsulfonyl)-1,6-dioxaspiro[4.5]decan-10-one
CID 101697525
2-[10-(Benzenesulfinyl)-10-methoxydecyl]-2-methyl-1,3-dioxolane
CID 134879378
(2S,6S)-2-(benzenesulfonyl)-6-butyloxane
CID 134882688
(3R,6S)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-3-methyl-1,7-dioxaspiro[5.5]undecane
CID 134886620
(5S,6S)-5-(4-methylphenyl)sulfonyl-1,7-dioxaspiro[5.5]undecane
CID 134936612

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(benzenesulfonyl)-1,10-dioxaspiro[4.5]decane?
The IUPAC name of (4S)-4-(benzenesulfonyl)-1,10-dioxaspiro[4.5]decane (CID 15062011) is (4S)-4-(benzenesulfonyl)-1,10-dioxaspiro[4.5]decane.
What is the SMILES notation for (4S)-4-(benzenesulfonyl)-1,10-dioxaspiro[4.5]decane?
The canonical SMILES for (4S)-4-(benzenesulfonyl)-1,10-dioxaspiro[4.5]decane is O=S(=O)(c1ccccc1)[C@H]1CCOC12CCCCO2.
What is the InChIKey of (4S)-4-(benzenesulfonyl)-1,10-dioxaspiro[4.5]decane?
The InChIKey is MCWLIYQEEWORNI-LSLKUGRBSA-N. The full InChI is InChI=1S/C14H18O4S/c15-19(16,12-6-2-1-3-7-12)13-8-11-18-14(13)9-4-5-10-17-14/h1-3,6-7,13H,4-5,8-11H2/t13-,14?/m0/s1.
What are the key properties of (4S)-4-(benzenesulfonyl)-1,10-dioxaspiro[4.5]decane?
(4S)-4-(benzenesulfonyl)-1,10-dioxaspiro[4.5]decane has a molecular weight of 282.36 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(benzenesulfonyl)-1,10-dioxaspiro[4.5]decane is sourced from PubChem (CID 15062011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).