5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one

C15H19N3O4S — CID 110809888

IUPAC5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
SMILESCS(=O)(=O)N1CCCN(C(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C15H19N3O4S/c1-23(21,22)18-6-2-5-17(7-8-18)15(20)11-3-4-13-12(9-11)10-14(19)16-13/h3-4,9H,2,5-8,10H2,1H3,(H,16,19)
InChIKeySVJGMFLGYLXZRL-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.29
Rot. Bonds2

About 5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one

5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 110809888) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
PubChem CID110809888
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
SMILESCS(=O)(=O)N1CCCN(C(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C15H19N3O4S/c1-23(21,22)18-6-2-5-17(7-8-18)15(20)11-3-4-13-12(9-11)10-14(19)16-13/h3-4,9H,2,5-8,10H2,1H3,(H,16,19)
InChIKeySVJGMFLGYLXZRL-UHFFFAOYSA-N
XLogP0.29
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110810080
6-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110809923
5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 113225087
(4-aminophenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 119702202
5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110800434
5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103878855
1-methyl-6-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 110809890
2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51305538
(4-methylsulfonylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 51305545
4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712522
5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711455
5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711671

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one (CID 110809888) is 5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one is CS(=O)(=O)N1CCCN(C(=O)c2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of 5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is SVJGMFLGYLXZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-23(21,22)18-6-2-5-17(7-8-18)15(20)11-3-4-13-12(9-11)10-14(19)16-13/h3-4,9H,2,5-8,10H2,1H3,(H,16,19).
What are the key properties of 5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one?
5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 337.40 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 110809888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).