6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine

C15H23NO3S — CID 79551905

IUPAC6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCC(C)(C)S(C)(=O)=O)CC2
InChIInChI=1S/C15H23NO3S/c1-15(2,20(4,17)18)10-16-14-8-6-11-5-7-12(19-3)9-13(11)14/h5,7,9,14,16H,6,8,10H2,1-4H3
InChIKeyZPCNMDJQXTWATL-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.10
Rot. Bonds5

About 6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine

6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 79551905) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID79551905
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCC(C)(C)S(C)(=O)=O)CC2
InChIInChI=1S/C15H23NO3S/c1-15(2,20(4,17)18)10-16-14-8-6-11-5-7-12(19-3)9-13(11)14/h5,7,9,14,16H,6,8,10H2,1-4H3
InChIKeyZPCNMDJQXTWATL-UHFFFAOYSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol
CID 79366778
2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
CID 79366308
2,2-difluoro-3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 113463329
N-cyclopropyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79366753
7-methoxy-N-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240012
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide
CID 79366946
N-(2-methyl-2-methylsulfonylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79552399
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366842
N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367214

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine (CID 79551905) is 6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(NCC(C)(C)S(C)(=O)=O)CC2.
What is the InChIKey of 6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ZPCNMDJQXTWATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-15(2,20(4,17)18)10-16-14-8-6-11-5-7-12(19-3)9-13(11)14/h5,7,9,14,16H,6,8,10H2,1-4H3.
What are the key properties of 6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 297.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79551905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).