(4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane

C18H27NO4S — CID 135108128

IUPAC(4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane
SMILESCOc1cc(C)ccc1S(=O)(=O)N1CCC[C@@]2(CCC[C@H]2OC)C1
InChIInChI=1S/C18H27NO4S/c1-14-7-8-16(15(12-14)22-2)24(20,21)19-11-5-10-18(13-19)9-4-6-17(18)23-3/h7-8,12,17H,4-6,9-11,13H2,1-3H3/t17-,18+/m1/s1
InChIKeyFHOTYNZMVUUEPF-MSOLQXFVSA-N
MW353.48 g/mol
LogP2.97
Rot. Bonds4

About (4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane

(4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane (PubChem CID 135108128) has the molecular formula C18H27NO4S and a molecular weight of 353.48 g/mol. Its IUPAC name is (4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane
PubChem CID135108128
Molecular FormulaC18H27NO4S
Molecular Weight353.48 g/mol
Exact Mass353.17
IUPAC Name(4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane
SMILESCOc1cc(C)ccc1S(=O)(=O)N1CCC[C@@]2(CCC[C@H]2OC)C1
InChIInChI=1S/C18H27NO4S/c1-14-7-8-16(15(12-14)22-2)24(20,21)19-11-5-10-18(13-19)9-4-6-17(18)23-3/h7-8,12,17H,4-6,9-11,13H2,1-3H3/t17-,18+/m1/s1
InChIKeyFHOTYNZMVUUEPF-MSOLQXFVSA-N
XLogP2.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane
CID 135104842
3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]-4-methylbenzoic acid
CID 135107118
4-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]benzoic acid
CID 135113090
(4R,5R)-4-methoxy-7-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-7-azaspiro[4.5]decane
CID 135118639
(3aR,7aS)-3a-(methoxymethyl)-5-(2-methoxy-4-methylphenyl)sulfonyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
CID 124808067
formic acid;(4R,5R)-4-methoxy-7-[(2-methoxy-4-methylphenyl)methyl]-7-azaspiro[4.5]decane
CID 154918113
(4R,5S)-7-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-7-azaspiro[4.5]decan-4-ol
CID 135094819
(3R,4S)-1-(2-methoxy-4-methylphenyl)sulfonyl-3,4-dimethylpiperidin-4-ol
CID 72905567
5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole
CID 135089894
1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 39730617
3-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390417
(3aS,7S,7aS)-7-methoxy-4-(2-methoxy-4-methylphenyl)sulfonyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 97486326

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane?
The IUPAC name of (4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane (CID 135108128) is (4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane.
What is the SMILES notation for (4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane?
The canonical SMILES for (4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane is COc1cc(C)ccc1S(=O)(=O)N1CCC[C@@]2(CCC[C@H]2OC)C1.
What is the InChIKey of (4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane?
The InChIKey is FHOTYNZMVUUEPF-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H27NO4S/c1-14-7-8-16(15(12-14)22-2)24(20,21)19-11-5-10-18(13-19)9-4-6-17(18)23-3/h7-8,12,17H,4-6,9-11,13H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of (4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane?
(4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane has a molecular weight of 353.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane is sourced from PubChem (CID 135108128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).