6-[(9-methyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-benzo[cd]indol-2-one

C20H21N3O4S — CID 162632607

IUPAC6-[(9-methyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-benzo[cd]indol-2-one
SMILESCN1CCCC2(CCCN2S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)C1=O
InChIInChI=1S/C20H21N3O4S/c1-22-11-3-9-20(19(22)25)10-4-12-23(20)28(26,27)16-8-7-15-17-13(16)5-2-6-14(17)18(24)21-15/h2,5-8H,3-4,9-12H2,1H3,(H,21,24)
InChIKeyUDWJSSNTFGUNSB-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.18
Rot. Bonds2

About 6-[(9-methyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-benzo[cd]indol-2-one

6-[(9-methyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-benzo[cd]indol-2-one (PubChem CID 162632607) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 6-[(9-methyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-benzo[cd]indol-2-one.

Molecular Properties

Compound Name6-[(9-methyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-benzo[cd]indol-2-one
PubChem CID162632607
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name6-[(9-methyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-benzo[cd]indol-2-one
SMILESCN1CCCC2(CCCN2S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)C1=O
InChIInChI=1S/C20H21N3O4S/c1-22-11-3-9-20(19(22)25)10-4-12-23(20)28(26,27)16-8-7-15-17-13(16)5-2-6-14(17)18(24)21-15/h2,5-8H,3-4,9-12H2,1H3,(H,21,24)
InChIKeyUDWJSSNTFGUNSB-UHFFFAOYSA-N
XLogP2.18
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(9-methyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-benzo[cd]indol-2-one?
The IUPAC name of 6-[(9-methyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-benzo[cd]indol-2-one (CID 162632607) is 6-[(9-methyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-benzo[cd]indol-2-one.
What is the SMILES notation for 6-[(9-methyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-benzo[cd]indol-2-one?
The canonical SMILES for 6-[(9-methyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-benzo[cd]indol-2-one is CN1CCCC2(CCCN2S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)C1=O.
What is the InChIKey of 6-[(9-methyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-benzo[cd]indol-2-one?
The InChIKey is UDWJSSNTFGUNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-22-11-3-9-20(19(22)25)10-4-12-23(20)28(26,27)16-8-7-15-17-13(16)5-2-6-14(17)18(24)21-15/h2,5-8H,3-4,9-12H2,1H3,(H,21,24).
What are the key properties of 6-[(9-methyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-benzo[cd]indol-2-one?
6-[(9-methyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-benzo[cd]indol-2-one has a molecular weight of 399.47 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(9-methyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-benzo[cd]indol-2-one is sourced from PubChem (CID 162632607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).