2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide

C12H17BrN2O2S — CID 102676098

IUPAC2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC1CCc2cc(Br)ccc21
InChIInChI=1S/C12H17BrN2O2S/c1-14-18(16,17)7-6-15-12-5-2-9-8-10(13)3-4-11(9)12/h3-4,8,12,14-15H,2,5-7H2,1H3
InChIKeyBEKAAHIHUPVHNR-UHFFFAOYSA-N
MW333.25 g/mol
LogP1.58
Rot. Bonds5

About 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide

2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide (PubChem CID 102676098) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide
PubChem CID102676098
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC Name2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC1CCc2cc(Br)ccc21
InChIInChI=1S/C12H17BrN2O2S/c1-14-18(16,17)7-6-15-12-5-2-9-8-10(13)3-4-11(9)12/h3-4,8,12,14-15H,2,5-7H2,1H3
InChIKeyBEKAAHIHUPVHNR-UHFFFAOYSA-N
XLogP1.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 61069531
5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115894121
(1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 97158290
5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 133269650
5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 61401280
5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 114099494
N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)ethanesulfonamide
CID 106333859
5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103931619
5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 112700049
5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 63423019
5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103777124
2-[[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115603168

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide (CID 102676098) is 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNC1CCc2cc(Br)ccc21.
What is the InChIKey of 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide?
The InChIKey is BEKAAHIHUPVHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c1-14-18(16,17)7-6-15-12-5-2-9-8-10(13)3-4-11(9)12/h3-4,8,12,14-15H,2,5-7H2,1H3.
What are the key properties of 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide?
2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide has a molecular weight of 333.25 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 102676098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).