N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide

C16H24N2O3S — CID 113140860

IUPACN-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCC(C)(C)N(CCC(=O)N1CCc2ccccc21)S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-16(2,3)18(22(4,20)21)12-10-15(19)17-11-9-13-7-5-6-8-14(13)17/h5-8H,9-12H2,1-4H3
InChIKeyRTPBMEHIXUVMSO-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.03
Rot. Bonds4

About N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide

N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113140860) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113140860
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCC(C)(C)N(CCC(=O)N1CCc2ccccc21)S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-16(2,3)18(22(4,20)21)12-10-15(19)17-11-9-13-7-5-6-8-14(13)17/h5-8H,9-12H2,1-4H3
InChIKeyRTPBMEHIXUVMSO-UHFFFAOYSA-N
XLogP2.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113122513
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-phenylethyl)methanesulfonamide
CID 113140199
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113145428
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 113139023
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 113139349
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide
CID 113142179
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 113140362
N-tert-butyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113122514
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
N-(2,4-difluorophenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146382
N-cyclopropyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113115408

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide (CID 113140860) is N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide is CC(C)(C)N(CCC(=O)N1CCc2ccccc21)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is RTPBMEHIXUVMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-16(2,3)18(22(4,20)21)12-10-15(19)17-11-9-13-7-5-6-8-14(13)17/h5-8H,9-12H2,1-4H3.
What are the key properties of N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113140860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).