(5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane

C23H30N2O4S — CID 97482730

IUPAC(5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@]3(CCCN(Cc4cccc(OC)c4)C3)C2)cc1
InChIInChI=1S/C23H30N2O4S/c1-28-20-7-9-22(10-8-20)30(26,27)25-14-12-23(18-25)11-4-13-24(17-23)16-19-5-3-6-21(15-19)29-2/h3,5-10,15H,4,11-14,16-18H2,1-2H3/t23-/m1/s1
InChIKeyXTQPFXHNKOHFMU-HSZRJFAPSA-N
MW430.57 g/mol
LogP3.38
Rot. Bonds6

About (5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane

(5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane (PubChem CID 97482730) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is (5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane
PubChem CID97482730
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name(5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@]3(CCCN(Cc4cccc(OC)c4)C3)C2)cc1
InChIInChI=1S/C23H30N2O4S/c1-28-20-7-9-22(10-8-20)30(26,27)25-14-12-23(18-25)11-4-13-24(17-23)16-19-5-3-6-21(15-19)29-2/h3,5-10,15H,4,11-14,16-18H2,1-2H3/t23-/m1/s1
InChIKeyXTQPFXHNKOHFMU-HSZRJFAPSA-N
XLogP3.38
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 97482676
(5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane
CID 97483473
2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane
CID 131653378
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97482755
2-(2,5-dimethoxyphenyl)sulfonyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecane
CID 155877342
(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482722
(3-methoxyphenyl)-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482724
(5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane
CID 97482743
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-morpholin-4-ylmethanone
CID 97482761
(3R)-N-[(3-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidine-3-carboxamide
CID 95088219
methyl 4-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]benzoate
CID 25452913
1-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone
CID 25309622

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane (CID 97482730) is (5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane is COc1ccc(S(=O)(=O)N2CC[C@@]3(CCCN(Cc4cccc(OC)c4)C3)C2)cc1.
What is the InChIKey of (5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane?
The InChIKey is XTQPFXHNKOHFMU-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-28-20-7-9-22(10-8-20)30(26,27)25-14-12-23(18-25)11-4-13-24(17-23)16-19-5-3-6-21(15-19)29-2/h3,5-10,15H,4,11-14,16-18H2,1-2H3/t23-/m1/s1.
What are the key properties of (5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane?
(5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane has a molecular weight of 430.57 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97482730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).