2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide

C12H18N2O3S — CID 79366308

IUPAC2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
SMILESCOc1ccc2c(c1)C(NCCS(N)(=O)=O)CC2
InChIInChI=1S/C12H18N2O3S/c1-17-10-4-2-9-3-5-12(11(9)8-10)14-6-7-18(13,15)16/h2,4,8,12,14H,3,5-7H2,1H3,(H2,13,15,16)
InChIKeyUPVIIYYDOARYQS-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.56
Rot. Bonds5

About 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide

2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide (PubChem CID 79366308) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
PubChem CID79366308
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
SMILESCOc1ccc2c(c1)C(NCCS(N)(=O)=O)CC2
InChIInChI=1S/C12H18N2O3S/c1-17-10-4-2-9-3-5-12(11(9)8-10)14-6-7-18(13,15)16/h2,4,8,12,14H,3,5-7H2,1H3,(H2,13,15,16)
InChIKeyUPVIIYYDOARYQS-UHFFFAOYSA-N
XLogP0.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240012
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide
CID 79366946
6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 82942309
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 79551905
N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367214
6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 113429607
6-methoxy-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79367119
6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 79366504
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263
6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 103901315
N-cyclopropyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79366753

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide (CID 79366308) is 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide is COc1ccc2c(c1)C(NCCS(N)(=O)=O)CC2.
What is the InChIKey of 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide?
The InChIKey is UPVIIYYDOARYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-17-10-4-2-9-3-5-12(11(9)8-10)14-6-7-18(13,15)16/h2,4,8,12,14H,3,5-7H2,1H3,(H2,13,15,16).
What are the key properties of 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide?
2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide is sourced from PubChem (CID 79366308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).