N-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine

C13H17NOS — CID 79333595

IUPACN-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1SC1COC1
InChIInChI=1S/C13H17NOS/c1-14-13-11-5-3-2-4-9(11)6-12(13)16-10-7-15-8-10/h2-5,10,12-14H,6-8H2,1H3
InChIKeyIYASEFJNFUDKLM-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.00
Rot. Bonds3

About N-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine

N-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 79333595) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID79333595
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1SC1COC1
InChIInChI=1S/C13H17NOS/c1-14-13-11-5-3-2-4-9(11)6-12(13)16-10-7-15-8-10/h2-5,10,12-14H,6-8H2,1H3
InChIKeyIYASEFJNFUDKLM-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64627349
(1R,2R)-1-N,2-N,2-N-trimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 14327151
2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64609273
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-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol
CID 66102793
N-methyl-2-(2-nitrophenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64612170
N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64634656
N-methyl-2-methylsulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64656013
1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 63725634
N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 66392493
N-ethyl-2-(4-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64619862

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine (CID 79333595) is N-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine is CNC1c2ccccc2CC1SC1COC1.
What is the InChIKey of N-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is IYASEFJNFUDKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-14-13-11-5-3-2-4-9(11)6-12(13)16-10-7-15-8-10/h2-5,10,12-14H,6-8H2,1H3.
What are the key properties of N-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
N-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 235.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79333595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).