2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone

C15H20N2O3S — CID 51305538

IUPAC2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C15H20N2O3S/c1-21(19,20)17-9-7-16(8-10-17)15(18)14-6-5-12-3-2-4-13(12)11-14/h5-6,11H,2-4,7-10H2,1H3
InChIKeyGRDWHKHJTMLBMV-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.89
Rot. Bonds2

About 2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone

2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 51305538) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID51305538
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C15H20N2O3S/c1-21(19,20)17-9-7-16(8-10-17)15(18)14-6-5-12-3-2-4-13(12)11-14/h5-6,11H,2-4,7-10H2,1H3
InChIKeyGRDWHKHJTMLBMV-UHFFFAOYSA-N
XLogP0.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylsulfonylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 51305545
2,3-dihydro-1H-inden-5-yl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810059
N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide
CID 110810347
2,3-dihydro-1H-inden-5-yl-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9011607
3,4-dihydro-2H-thiochromen-6-yl-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809956
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110804573
[4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 38461269
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 9368898
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 8641181
1-(4-methylsulfonylpiperazin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 51252178
phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 84543270
1-methyl-6-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 110809890

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone (CID 51305538) is 2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is GRDWHKHJTMLBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-21(19,20)17-9-7-16(8-10-17)15(18)14-6-5-12-3-2-4-13(12)11-14/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone?
2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 308.40 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 51305538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).