N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine

C15H23NO3S — CID 79375167

IUPACN-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCS(=O)(=O)C1Cc2ccc(OC)cc2C1NCC
InChIInChI=1S/C15H23NO3S/c1-4-8-20(17,18)14-9-11-6-7-12(19-3)10-13(11)15(14)16-5-2/h6-7,10,14-16H,4-5,8-9H2,1-3H3
InChIKeyMHAOZRKRCGJCCZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.10
Rot. Bonds6

About N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine

N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 79375167) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine
PubChem CID79375167
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCS(=O)(=O)C1Cc2ccc(OC)cc2C1NCC
InChIInChI=1S/C15H23NO3S/c1-4-8-20(17,18)14-9-11-6-7-12(19-3)10-13(11)15(14)16-5-2/h6-7,10,14-16H,4-5,8-9H2,1-3H3
InChIKeyMHAOZRKRCGJCCZ-UHFFFAOYSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

1-N-ethyl-6-methoxy-2-N-methyl-2-N-propyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79375098
2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374666
2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79375426
N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368198
methyl 3-[(1-amino-6-methoxy-2,3-dihydro-1H-inden-2-yl)sulfonyl]propanoate
CID 79369070
2-N-cyclopentyl-1-N-ethyl-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79370507
N-ethyl-6-methoxy-2-(2-methylpyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79374745
N-ethyl-6-methoxy-2-(2-methylbutylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 107763601
[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 79248721
N-ethyl-6-methoxy-2-(3-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79370488
N-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420263
N-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248452

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine (CID 79375167) is N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine is CCCS(=O)(=O)C1Cc2ccc(OC)cc2C1NCC.
What is the InChIKey of N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MHAOZRKRCGJCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-8-20(17,18)14-9-11-6-7-12(19-3)10-13(11)15(14)16-5-2/h6-7,10,14-16H,4-5,8-9H2,1-3H3.
What are the key properties of N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine?
N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 297.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79375167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).