2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine

C17H17NO2S — CID 115479385

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1Sc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO2S/c18-17-13-4-2-1-3-11(13)9-16(17)21-12-5-6-14-15(10-12)20-8-7-19-14/h1-6,10,16-17H,7-9,18H2
InChIKeyAOVFJIFTZQESMF-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.17
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 115479385) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID115479385
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1Sc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO2S/c18-17-13-4-2-1-3-11(13)9-16(17)21-12-5-6-14-15(10-12)20-8-7-19-14/h1-6,10,16-17H,7-9,18H2
InChIKeyAOVFJIFTZQESMF-UHFFFAOYSA-N
XLogP3.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64628290
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64647889
N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide
CID 64648963
2-propan-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64633837
5-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 64610052
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)phenyl]ethanamine
CID 115478528
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 64612132
[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine
CID 115478659
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole
CID 65046520
3-(1,3-benzodioxol-5-ylsulfanyl)cyclobutan-1-amine
CID 117033284
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7986649

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine (CID 115479385) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine is NC1c2ccccc2CC1Sc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is AOVFJIFTZQESMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c18-17-13-4-2-1-3-11(13)9-16(17)21-12-5-6-14-15(10-12)20-8-7-19-14/h1-6,10,16-17H,7-9,18H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 299.40 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115479385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).