2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide

C13H20N2O2S — CID 103901891

IUPAC2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1Cc2ccccc2C1
InChIInChI=1S/C13H20N2O2S/c1-2-15-18(16,17)8-7-14-13-9-11-5-3-4-6-12(11)10-13/h3-6,13-15H,2,7-10H2,1H3
InChIKeyCCFRYZKAWMIMKB-UHFFFAOYSA-N
MW268.38 g/mol
LogP0.68
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide

2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide (PubChem CID 103901891) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide
PubChem CID103901891
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1Cc2ccccc2C1
InChIInChI=1S/C13H20N2O2S/c1-2-15-18(16,17)8-7-14-13-9-11-5-3-4-6-12(11)10-13/h3-6,13-15H,2,7-10H2,1H3
InChIKeyCCFRYZKAWMIMKB-UHFFFAOYSA-N
XLogP0.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Rasagiline Mesylate
CID 3052775
(+/-) Propane-2-sulfonic acid (2-phenyl-cyclopentyl)-amide
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1-(benzylsulfonyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine
CID 1151771
N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide
CID 45479967
N-benzyl-2-(octylamino)ethanesulfonamide
CID 45479985
N-benzyl-2-(butylamino)ethanesulfonamide
CID 45479989
cis-[(Methylethyl)sulfonyl](2-phenylcyclopentyl)amine
CID 11119059
N-(2,3-Dihydro-1H-inden-2-yl)sulfuric diamide
CID 45117541
N-(2,3-dihydro-1H-inden-2-yl)methanesulfonamide
CID 21887329
N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide
CID 47129147
N-octyl-2-(phenethylamino)ethanesulfonamide
CID 45479968
(+,-) Trans-propane-2-sulfonic Acid (2-phenyl-cyclopentyl)-amide
CID 10956500

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide (CID 103901891) is 2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNC1Cc2ccccc2C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide?
The InChIKey is CCFRYZKAWMIMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-15-18(16,17)8-7-14-13-9-11-5-3-4-6-12(11)10-13/h3-6,13-15H,2,7-10H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide?
2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide is sourced from PubChem (CID 103901891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).