6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine

C15H21NO4S — CID 79369074

IUPAC6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N)C(S(=O)(=O)C1CCOCC1)C2
InChIInChI=1S/C15H21NO4S/c1-19-11-3-2-10-8-14(15(16)13(10)9-11)21(17,18)12-4-6-20-7-5-12/h2-3,9,12,14-15H,4-8,16H2,1H3
InChIKeyDBWGFOANEJOQTE-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.21
Rot. Bonds3

About 6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine

6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 79369074) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID79369074
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N)C(S(=O)(=O)C1CCOCC1)C2
InChIInChI=1S/C15H21NO4S/c1-19-11-3-2-10-8-14(15(16)13(10)9-11)21(17,18)12-4-6-20-7-5-12/h2-3,9,12,14-15H,4-8,16H2,1H3
InChIKeyDBWGFOANEJOQTE-UHFFFAOYSA-N
XLogP1.21
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374666
methyl 3-[(1-amino-6-methoxy-2,3-dihydro-1H-inden-2-yl)sulfonyl]propanoate
CID 79369070
8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine
CID 170899412
7-methoxy-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248446
6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine
CID 107758435
7-methoxy-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247767
6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64654435
6-methoxy-2-(3-methylmorpholin-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 79375025
2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368756
7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247755
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374328

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine (CID 79369074) is 6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(N)C(S(=O)(=O)C1CCOCC1)C2.
What is the InChIKey of 6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DBWGFOANEJOQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-19-11-3-2-10-8-14(15(16)13(10)9-11)21(17,18)12-4-6-20-7-5-12/h2-3,9,12,14-15H,4-8,16H2,1H3.
What are the key properties of 6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine?
6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 311.40 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79369074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).