1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol

C12H17NO2S — CID 107682669

IUPAC1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol
SMILESCS(=O)CCNC1CCc2cc(O)ccc21
InChIInChI=1S/C12H17NO2S/c1-16(15)7-6-13-12-5-2-9-8-10(14)3-4-11(9)12/h3-4,8,12-14H,2,5-7H2,1H3
InChIKeyWLUHDUHWSRVTFD-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.35
Rot. Bonds4

About 1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol

1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682669) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107682669
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol
SMILESCS(=O)CCNC1CCc2cc(O)ccc21
InChIInChI=1S/C12H17NO2S/c1-16(15)7-6-13-12-5-2-9-8-10(14)3-4-11(9)12/h3-4,8,12-14H,2,5-7H2,1H3
InChIKeyWLUHDUHWSRVTFD-UHFFFAOYSA-N
XLogP1.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115720823
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
CID 107682607
1-[2-[cyclopropyl(methyl)amino]ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682345
1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682163
3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide
CID 107682295
1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682417
1-[2-(trifluoromethylsulfanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 114187434
1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682315
1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682734
N,N-diethyl-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 107682624
1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682656
1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol
CID 113343184

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol (CID 107682669) is 1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol is CS(=O)CCNC1CCc2cc(O)ccc21.
What is the InChIKey of 1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is WLUHDUHWSRVTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-16(15)7-6-13-12-5-2-9-8-10(14)3-4-11(9)12/h3-4,8,12-14H,2,5-7H2,1H3.
What are the key properties of 1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol?
1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 239.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).