(8R)-2-(3-chlorophenyl)sulfonyl-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide

C14H18ClNO5S2 — CID 124798676

IUPAC(8R)-2-(3-chlorophenyl)sulfonyl-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESCOC[C@H]1CCS(=O)(=O)C12CN(S(=O)(=O)c1cccc(Cl)c1)C2
InChIInChI=1S/C14H18ClNO5S2/c1-21-8-11-5-6-22(17,18)14(11)9-16(10-14)23(19,20)13-4-2-3-12(15)7-13/h2-4,7,11H,5-6,8-10H2,1H3/t11-/m1/s1
InChIKeyZDIWBVRVYCMXEH-LLVKDONJSA-N
MW379.89 g/mol
LogP1.16
Rot. Bonds4

About (8R)-2-(3-chlorophenyl)sulfonyl-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide

(8R)-2-(3-chlorophenyl)sulfonyl-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (PubChem CID 124798676) has the molecular formula C14H18ClNO5S2 and a molecular weight of 379.89 g/mol. Its IUPAC name is (8R)-2-(3-chlorophenyl)sulfonyl-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.

Molecular Properties

Compound Name(8R)-2-(3-chlorophenyl)sulfonyl-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
PubChem CID124798676
Molecular FormulaC14H18ClNO5S2
Molecular Weight379.89 g/mol
Exact Mass379.03
IUPAC Name(8R)-2-(3-chlorophenyl)sulfonyl-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESCOC[C@H]1CCS(=O)(=O)C12CN(S(=O)(=O)c1cccc(Cl)c1)C2
InChIInChI=1S/C14H18ClNO5S2/c1-21-8-11-5-6-22(17,18)14(11)9-16(10-14)23(19,20)13-4-2-3-12(15)7-13/h2-4,7,11H,5-6,8-10H2,1H3/t11-/m1/s1
InChIKeyZDIWBVRVYCMXEH-LLVKDONJSA-N
XLogP1.16
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8R)-2-(3-chlorophenyl)sulfonyl-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide with MolForge

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Related Compounds

4-(3-chlorophenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
CID 110602234
(8S)-2-(benzenesulfonyl)-8-(methoxymethyl)-5-oxa-2-azaspiro[3.4]octane
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1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18074509
8-(3-chlorophenyl)sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane
CID 122255566
[2-(3-chlorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methanol
CID 131695551
1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
(8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124810214
(3S,4S)-1-(3-chlorophenyl)sulfonyl-4-(dimethylamino)pyrrolidin-3-ol
CID 131891133
4-(1-chloroethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 106839553
6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 114781786
[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971921
1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
CID 46287364

Frequently Asked Questions

What is the IUPAC name of (8R)-2-(3-chlorophenyl)sulfonyl-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The IUPAC name of (8R)-2-(3-chlorophenyl)sulfonyl-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (CID 124798676) is (8R)-2-(3-chlorophenyl)sulfonyl-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.
What is the SMILES notation for (8R)-2-(3-chlorophenyl)sulfonyl-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The canonical SMILES for (8R)-2-(3-chlorophenyl)sulfonyl-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is COC[C@H]1CCS(=O)(=O)C12CN(S(=O)(=O)c1cccc(Cl)c1)C2.
What is the InChIKey of (8R)-2-(3-chlorophenyl)sulfonyl-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The InChIKey is ZDIWBVRVYCMXEH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18ClNO5S2/c1-21-8-11-5-6-22(17,18)14(11)9-16(10-14)23(19,20)13-4-2-3-12(15)7-13/h2-4,7,11H,5-6,8-10H2,1H3/t11-/m1/s1.
What are the key properties of (8R)-2-(3-chlorophenyl)sulfonyl-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
(8R)-2-(3-chlorophenyl)sulfonyl-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide has a molecular weight of 379.89 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-(3-chlorophenyl)sulfonyl-8-(methoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is sourced from PubChem (CID 124798676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).