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

C14H21NO3S2 — CID 79375427

IUPAC6-methoxy-N-methyl-2-(2-methylsulfonylethylsulfanyl)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2cc(OC)ccc2CC1SCCS(C)(=O)=O
InChIInChI=1S/C14H21NO3S2/c1-15-14-12-9-11(18-2)5-4-10(12)8-13(14)19-6-7-20(3,16)17/h4-5,9,13-15H,6-8H2,1-3H3
InChIKeyVGOGYOHEIKZHPA-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.66
Rot. Bonds6

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

6-methoxy-N-methyl-2-(2-methylsulfonylethylsulfanyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 79375427) has the molecular formula C14H21NO3S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 6-methoxy-N-methyl-2-(2-methylsulfonylethylsulfanyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-2-(2-methylsulfonylethylsulfanyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID79375427
Molecular FormulaC14H21NO3S2
Molecular Weight315.46 g/mol
Exact Mass315.10
IUPAC Name6-methoxy-N-methyl-2-(2-methylsulfonylethylsulfanyl)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2cc(OC)ccc2CC1SCCS(C)(=O)=O
InChIInChI=1S/C14H21NO3S2/c1-15-14-12-9-11(18-2)5-4-10(12)8-13(14)19-6-7-20(3,16)17/h4-5,9,13-15H,6-8H2,1-3H3
InChIKeyVGOGYOHEIKZHPA-UHFFFAOYSA-N
XLogP1.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 79375512
N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368198
7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248477
2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79375426
methyl 3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propanoate
CID 64615409
2-N-(cyclopropylmethyl)-6-methoxy-1-N,2-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79376461
6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 79370352
N-ethyl-6-methoxy-2-(2-methylbutylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 107763601
3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
CID 66127727
7-methoxy-N-methyl-2-(2-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763687
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

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-2-(2-methylsulfonylethylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-methyl-2-(2-methylsulfonylethylsulfanyl)-2,3-dihydro-1H-inden-1-amine (CID 79375427) is 6-methoxy-N-methyl-2-(2-methylsulfonylethylsulfanyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-methyl-2-(2-methylsulfonylethylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-methyl-2-(2-methylsulfonylethylsulfanyl)-2,3-dihydro-1H-inden-1-amine is CNC1c2cc(OC)ccc2CC1SCCS(C)(=O)=O.
What is the InChIKey of 6-methoxy-N-methyl-2-(2-methylsulfonylethylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VGOGYOHEIKZHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S2/c1-15-14-12-9-11(18-2)5-4-10(12)8-13(14)19-6-7-20(3,16)17/h4-5,9,13-15H,6-8H2,1-3H3.
What are the key properties of 6-methoxy-N-methyl-2-(2-methylsulfonylethylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-methyl-2-(2-methylsulfonylethylsulfanyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 315.46 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-2-(2-methylsulfonylethylsulfanyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79375427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).