N-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide

C16H26N2O2S — CID 63858734

IUPACN-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(NCC(C)(C)NS(C)(=O)=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H26N2O2S/c1-12(17-11-16(2,3)18-21(4,19)20)14-9-8-13-6-5-7-15(13)10-14/h8-10,12,17-18H,5-7,11H2,1-4H3
InChIKeyABLRAMIETRNSHY-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.15
Rot. Bonds6

About N-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63858734) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63858734
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(NCC(C)(C)NS(C)(=O)=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H26N2O2S/c1-12(17-11-16(2,3)18-21(4,19)20)14-9-8-13-6-5-7-15(13)10-14/h8-10,12,17-18H,5-7,11H2,1-4H3
InChIKeyABLRAMIETRNSHY-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide with MolForge

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Related Compounds

N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide
CID 63859656
2,2-dimethyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 103917195
N,2,2-trimethyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 103917282
N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 63450607
4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol
CID 103784307
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,2-dimethylpropanamide
CID 94487783
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 43200388
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,2-dimethylpropanamide
CID 133185989
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine
CID 64568274
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine
CID 106180416
N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide
CID 63865129

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide (CID 63858734) is N-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide is CC(NCC(C)(C)NS(C)(=O)=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is ABLRAMIETRNSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12(17-11-16(2,3)18-21(4,19)20)14-9-8-13-6-5-7-15(13)10-14/h8-10,12,17-18H,5-7,11H2,1-4H3.
What are the key properties of N-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63858734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).