(1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone

C25H29N3O5S2 — CID 5174174

IUPAC(1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCn1c(C(=O)N2CCC3(CC2)CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C3)cc2ccccc21
InChIInChI=1S/C25H29N3O5S2/c1-26-22-6-4-3-5-19(22)17-23(26)24(29)27-14-11-25(12-15-27)13-16-28(18-25)35(32,33)21-9-7-20(8-10-21)34(2,30)31/h3-10,17H,11-16,18H2,1-2H3
InChIKeyWXLOGHIQEJNBEM-UHFFFAOYSA-N
MW515.66 g/mol
LogP2.90
Rot. Bonds4

About (1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone

(1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 5174174) has the molecular formula C25H29N3O5S2 and a molecular weight of 515.66 g/mol. Its IUPAC name is (1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID5174174
Molecular FormulaC25H29N3O5S2
Molecular Weight515.66 g/mol
Exact Mass515.15
IUPAC Name(1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCn1c(C(=O)N2CCC3(CC2)CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C3)cc2ccccc21
InChIInChI=1S/C25H29N3O5S2/c1-26-22-6-4-3-5-19(22)17-23(26)24(29)27-14-11-25(12-15-27)13-16-28(18-25)35(32,33)21-9-7-20(8-10-21)34(2,30)31/h3-10,17H,11-16,18H2,1-2H3
InChIKeyWXLOGHIQEJNBEM-UHFFFAOYSA-N
XLogP2.90
TPSA96.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 5174174) is (1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone is Cn1c(C(=O)N2CCC3(CC2)CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C3)cc2ccccc21.
What is the InChIKey of (1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is WXLOGHIQEJNBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S2/c1-26-22-6-4-3-5-19(22)17-23(26)24(29)27-14-11-25(12-15-27)13-16-28(18-25)35(32,33)21-9-7-20(8-10-21)34(2,30)31/h3-10,17H,11-16,18H2,1-2H3.
What are the key properties of (1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
(1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 515.66 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-2-yl)-[2-(4-methylsulfonylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 5174174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).