2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine

C15H17NOS — CID 64609273

IUPAC2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1SCc1ccco1
InChIInChI=1S/C15H17NOS/c1-16-15-13-7-3-2-5-11(13)9-14(15)18-10-12-6-4-8-17-12/h2-8,14-16H,9-10H2,1H3
InChIKeyGTADECGHOUVKHZ-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.40
Rot. Bonds4

About 2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine

2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 64609273) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID64609273
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1SCc1ccco1
InChIInChI=1S/C15H17NOS/c1-16-15-13-7-3-2-5-11(13)9-14(15)18-10-12-6-4-8-17-12/h2-8,14-16H,9-10H2,1H3
InChIKeyGTADECGHOUVKHZ-UHFFFAOYSA-N
XLogP3.40
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol
CID 66102793
2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine
CID 64609500
N-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 79333595
6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine
CID 79847075
(1R,2R)-1-N,2-N,2-N-trimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 14327151
1-(2,3-dihydro-1H-inden-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 103675715
2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64619137
N,2-dimethyl-2,3-dihydro-1H-inden-1-amine;ethane
CID 142067268
2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 64610724
N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64634656
N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine
CID 64609908
N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine
CID 64609685

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 64609273) is 2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1c2ccccc2CC1SCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GTADECGHOUVKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-16-15-13-7-3-2-5-11(13)9-14(15)18-10-12-6-4-8-17-12/h2-8,14-16H,9-10H2,1H3.
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 259.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64609273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).