6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine

C16H25NO2S — CID 79368758

IUPAC6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2cc(OC)ccc2CC1S(=O)C(C)C
InChIInChI=1S/C16H25NO2S/c1-5-8-17-16-14-10-13(19-4)7-6-12(14)9-15(16)20(18)11(2)3/h6-7,10-11,15-17H,5,8-9H2,1-4H3
InChIKeyJPMWFXOUBSKMBG-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.82
Rot. Bonds6

About 6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine

6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 79368758) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID79368758
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2cc(OC)ccc2CC1S(=O)C(C)C
InChIInChI=1S/C16H25NO2S/c1-5-8-17-16-14-10-13(19-4)7-6-12(14)9-15(16)20(18)11(2)3/h6-7,10-11,15-17H,5,8-9H2,1-4H3
InChIKeyJPMWFXOUBSKMBG-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79369092
2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107759520
6-methoxy-2-(2-methylbutan-2-yloxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79371150
6-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79370659
2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79371140
2-butan-2-ylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248549
6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79370654
2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368756
6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 79369397
6-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-yl-2,3-dihydro-1H-indene-1,2-diamine
CID 79376099
N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine
CID 79375167
2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79375426

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 79368758) is 6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1c2cc(OC)ccc2CC1S(=O)C(C)C.
What is the InChIKey of 6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JPMWFXOUBSKMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-5-8-17-16-14-10-13(19-4)7-6-12(14)9-15(16)20(18)11(2)3/h6-7,10-11,15-17H,5,8-9H2,1-4H3.
What are the key properties of 6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 295.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79368758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).