1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide

C25H29N3O5S — CID 50802053

IUPAC1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N1CCC3(CC1)OCCO3)n2Cc1ccccc1
InChIInChI=1S/C25H29N3O5S/c1-26(2)34(30,31)21-8-9-22-20(16-21)17-23(28(22)18-19-6-4-3-5-7-19)24(29)27-12-10-25(11-13-27)32-14-15-33-25/h3-9,16-17H,10-15,18H2,1-2H3
InChIKeyIVNJAMCSMNITTQ-UHFFFAOYSA-N
MW483.59 g/mol
LogP2.92
Rot. Bonds5

About 1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide

1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide (PubChem CID 50802053) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is 1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide.

Molecular Properties

Compound Name1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide
PubChem CID50802053
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC Name1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N1CCC3(CC1)OCCO3)n2Cc1ccccc1
InChIInChI=1S/C25H29N3O5S/c1-26(2)34(30,31)21-8-9-22-20(16-21)17-23(28(22)18-19-6-4-3-5-7-19)24(29)27-12-10-25(11-13-27)32-14-15-33-25/h3-9,16-17H,10-15,18H2,1-2H3
InChIKeyIVNJAMCSMNITTQ-UHFFFAOYSA-N
XLogP2.92
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide
CID 50802027
1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide
CID 50801918
1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide
CID 50801822
1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide
CID 50801746
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone
CID 22579699
1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 50802080
N-[1-benzyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-4-tert-butylbenzenesulfonamide
CID 42808775
(1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110853525
(5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 42806101
1-[4-(1-benzylindole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 29140119
3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide
CID 20859043
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-[(4-methylphenyl)methyl]quinolin-2-one
CID 156601447

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide?
The IUPAC name of 1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide (CID 50802053) is 1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide.
What is the SMILES notation for 1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide?
The canonical SMILES for 1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N1CCC3(CC1)OCCO3)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide?
The InChIKey is IVNJAMCSMNITTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-26(2)34(30,31)21-8-9-22-20(16-21)17-23(28(22)18-19-6-4-3-5-7-19)24(29)27-12-10-25(11-13-27)32-14-15-33-25/h3-9,16-17H,10-15,18H2,1-2H3.
What are the key properties of 1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide?
1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide has a molecular weight of 483.59 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide is sourced from PubChem (CID 50802053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).