N,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide

C17H24N2O3S — CID 75514639

IUPACN,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCC(=O)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C17H24N2O3S/c1-18(2)23(21,22)12-9-16(20)19-13-17(10-5-6-11-17)14-7-3-4-8-15(14)19/h3-4,7-8H,5-6,9-13H2,1-2H3
InChIKeyLMCYRQAVSMJKSA-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.13
Rot. Bonds4

About N,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide

N,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide (PubChem CID 75514639) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide
PubChem CID75514639
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCC(=O)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C17H24N2O3S/c1-18(2)23(21,22)12-9-16(20)19-13-17(10-5-6-11-17)14-7-3-4-8-15(14)19/h3-4,7-8H,5-6,9-13H2,1-2H3
InChIKeyLMCYRQAVSMJKSA-UHFFFAOYSA-N
XLogP2.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide (CID 75514639) is N,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide is CN(C)S(=O)(=O)CCC(=O)N1CC2(CCCC2)c2ccccc21.
What is the InChIKey of N,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide?
The InChIKey is LMCYRQAVSMJKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-18(2)23(21,22)12-9-16(20)19-13-17(10-5-6-11-17)14-7-3-4-8-15(14)19/h3-4,7-8H,5-6,9-13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide?
N,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide is sourced from PubChem (CID 75514639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).