(1S,3R)-3-ethoxy-7-(2-methoxyphenyl)sulfonyl-7-azaspiro[3.5]nonan-1-ol

C17H25NO5S — CID 133130616

IUPAC(1S,3R)-3-ethoxy-7-(2-methoxyphenyl)sulfonyl-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@@H]1C[C@H](O)C12CCN(S(=O)(=O)c1ccccc1OC)CC2
InChIInChI=1S/C17H25NO5S/c1-3-23-16-12-15(19)17(16)8-10-18(11-9-17)24(20,21)14-7-5-4-6-13(14)22-2/h4-7,15-16,19H,3,8-12H2,1-2H3/t15-,16+/m0/s1
InChIKeyHIWJNVMHKCOAAW-JKSUJKDBSA-N
MW355.46 g/mol
LogP1.64
Rot. Bonds5

About (1S,3R)-3-ethoxy-7-(2-methoxyphenyl)sulfonyl-7-azaspiro[3.5]nonan-1-ol

(1S,3R)-3-ethoxy-7-(2-methoxyphenyl)sulfonyl-7-azaspiro[3.5]nonan-1-ol (PubChem CID 133130616) has the molecular formula C17H25NO5S and a molecular weight of 355.46 g/mol. Its IUPAC name is (1S,3R)-3-ethoxy-7-(2-methoxyphenyl)sulfonyl-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1S,3R)-3-ethoxy-7-(2-methoxyphenyl)sulfonyl-7-azaspiro[3.5]nonan-1-ol
PubChem CID133130616
Molecular FormulaC17H25NO5S
Molecular Weight355.46 g/mol
Exact Mass355.15
IUPAC Name(1S,3R)-3-ethoxy-7-(2-methoxyphenyl)sulfonyl-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@@H]1C[C@H](O)C12CCN(S(=O)(=O)c1ccccc1OC)CC2
InChIInChI=1S/C17H25NO5S/c1-3-23-16-12-15(19)17(16)8-10-18(11-9-17)24(20,21)14-7-5-4-6-13(14)22-2/h4-7,15-16,19H,3,8-12H2,1-2H3/t15-,16+/m0/s1
InChIKeyHIWJNVMHKCOAAW-JKSUJKDBSA-N
XLogP1.64
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethylsulfonyl-4-(2-methoxyphenyl)sulfonyl-1,4-diazepane
CID 110799657
1-(2-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123808
(3R,4S)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-4-propylpiperidine-4-carboxylic acid
CID 135112795
7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457282
1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 47104113
2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 111456899
N-[[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990650
1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 110818318
2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 71902438
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656
2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 55447305
1-[4-(2-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]pentan-1-one
CID 110797287

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-3-ethoxy-7-(2-methoxyphenyl)sulfonyl-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1S,3R)-3-ethoxy-7-(2-methoxyphenyl)sulfonyl-7-azaspiro[3.5]nonan-1-ol (CID 133130616) is (1S,3R)-3-ethoxy-7-(2-methoxyphenyl)sulfonyl-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1S,3R)-3-ethoxy-7-(2-methoxyphenyl)sulfonyl-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1S,3R)-3-ethoxy-7-(2-methoxyphenyl)sulfonyl-7-azaspiro[3.5]nonan-1-ol is CCO[C@@H]1C[C@H](O)C12CCN(S(=O)(=O)c1ccccc1OC)CC2.
What is the InChIKey of (1S,3R)-3-ethoxy-7-(2-methoxyphenyl)sulfonyl-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is HIWJNVMHKCOAAW-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H25NO5S/c1-3-23-16-12-15(19)17(16)8-10-18(11-9-17)24(20,21)14-7-5-4-6-13(14)22-2/h4-7,15-16,19H,3,8-12H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (1S,3R)-3-ethoxy-7-(2-methoxyphenyl)sulfonyl-7-azaspiro[3.5]nonan-1-ol?
(1S,3R)-3-ethoxy-7-(2-methoxyphenyl)sulfonyl-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 355.46 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3-ethoxy-7-(2-methoxyphenyl)sulfonyl-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 133130616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).