(3R)-2-(2-methoxyethyl)-3-pyridin-4-yl-7-(2,4,5-trimethylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane

C24H33N3O3S — CID 164634130

IUPAC(3R)-2-(2-methoxyethyl)-3-pyridin-4-yl-7-(2,4,5-trimethylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane
SMILESCOCCN1CC2(CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)[C@H]1c1ccncc1
InChIInChI=1S/C24H33N3O3S/c1-18-15-20(3)22(16-19(18)2)31(28,29)27-11-7-24(8-12-27)17-26(13-14-30-4)23(24)21-5-9-25-10-6-21/h5-6,9-10,15-16,23H,7-8,11-14,17H2,1-4H3/t23-/m1/s1
InChIKeyYXJGQNYTPBPKHK-HSZRJFAPSA-N
MW443.61 g/mol
LogP3.48
Rot. Bonds6

About (3R)-2-(2-methoxyethyl)-3-pyridin-4-yl-7-(2,4,5-trimethylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane

(3R)-2-(2-methoxyethyl)-3-pyridin-4-yl-7-(2,4,5-trimethylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane (PubChem CID 164634130) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is (3R)-2-(2-methoxyethyl)-3-pyridin-4-yl-7-(2,4,5-trimethylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name(3R)-2-(2-methoxyethyl)-3-pyridin-4-yl-7-(2,4,5-trimethylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane
PubChem CID164634130
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC Name(3R)-2-(2-methoxyethyl)-3-pyridin-4-yl-7-(2,4,5-trimethylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane
SMILESCOCCN1CC2(CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)[C@H]1c1ccncc1
InChIInChI=1S/C24H33N3O3S/c1-18-15-20(3)22(16-19(18)2)31(28,29)27-11-7-24(8-12-27)17-26(13-14-30-4)23(24)21-5-9-25-10-6-21/h5-6,9-10,15-16,23H,7-8,11-14,17H2,1-4H3/t23-/m1/s1
InChIKeyYXJGQNYTPBPKHK-HSZRJFAPSA-N
XLogP3.48
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-(2-methoxyethyl)-3-pyridin-4-yl-7-(2,4,5-trimethylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of (3R)-2-(2-methoxyethyl)-3-pyridin-4-yl-7-(2,4,5-trimethylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane (CID 164634130) is (3R)-2-(2-methoxyethyl)-3-pyridin-4-yl-7-(2,4,5-trimethylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for (3R)-2-(2-methoxyethyl)-3-pyridin-4-yl-7-(2,4,5-trimethylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for (3R)-2-(2-methoxyethyl)-3-pyridin-4-yl-7-(2,4,5-trimethylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane is COCCN1CC2(CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)[C@H]1c1ccncc1.
What is the InChIKey of (3R)-2-(2-methoxyethyl)-3-pyridin-4-yl-7-(2,4,5-trimethylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is YXJGQNYTPBPKHK-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-18-15-20(3)22(16-19(18)2)31(28,29)27-11-7-24(8-12-27)17-26(13-14-30-4)23(24)21-5-9-25-10-6-21/h5-6,9-10,15-16,23H,7-8,11-14,17H2,1-4H3/t23-/m1/s1.
What are the key properties of (3R)-2-(2-methoxyethyl)-3-pyridin-4-yl-7-(2,4,5-trimethylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane?
(3R)-2-(2-methoxyethyl)-3-pyridin-4-yl-7-(2,4,5-trimethylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 443.61 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(2-methoxyethyl)-3-pyridin-4-yl-7-(2,4,5-trimethylphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 164634130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).