1-[(1,1-dioxothiolan-3-yl)-methylamino]-2,3-dihydro-1H-inden-4-ol

C14H19NO3S — CID 82982631

IUPAC1-[(1,1-dioxothiolan-3-yl)-methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCN(C1CCS(=O)(=O)C1)C1CCc2c(O)cccc21
InChIInChI=1S/C14H19NO3S/c1-15(10-7-8-19(17,18)9-10)13-6-5-12-11(13)3-2-4-14(12)16/h2-4,10,13,16H,5-9H2,1H3
InChIKeyZIHLRIIKNFPCLR-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.50
Rot. Bonds2

About 1-[(1,1-dioxothiolan-3-yl)-methylamino]-2,3-dihydro-1H-inden-4-ol

1-[(1,1-dioxothiolan-3-yl)-methylamino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 82982631) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-3-yl)-methylamino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-3-yl)-methylamino]-2,3-dihydro-1H-inden-4-ol
PubChem CID82982631
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name1-[(1,1-dioxothiolan-3-yl)-methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCN(C1CCS(=O)(=O)C1)C1CCc2c(O)cccc21
InChIInChI=1S/C14H19NO3S/c1-15(10-7-8-19(17,18)9-10)13-6-5-12-11(13)3-2-4-14(12)16/h2-4,10,13,16H,5-9H2,1H3
InChIKeyZIHLRIIKNFPCLR-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 82977970
1-(dimethylamino)-2,3-dihydro-1H-inden-4-ol
CID 11789767
2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one
CID 43797735
2-[2,3-dihydro-1H-inden-1-yl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 65059735
1-[cyclopentyl(2-methylpropyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 82982761
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 82976934
3-[(1,1-dioxothiolan-3-yl)-methylamino]benzenecarboximidamide
CID 55142333
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 102888008
1-(3,4-dihydroxyphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 43234725
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 43411195

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-3-yl)-methylamino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[(1,1-dioxothiolan-3-yl)-methylamino]-2,3-dihydro-1H-inden-4-ol (CID 82982631) is 1-[(1,1-dioxothiolan-3-yl)-methylamino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[(1,1-dioxothiolan-3-yl)-methylamino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[(1,1-dioxothiolan-3-yl)-methylamino]-2,3-dihydro-1H-inden-4-ol is CN(C1CCS(=O)(=O)C1)C1CCc2c(O)cccc21.
What is the InChIKey of 1-[(1,1-dioxothiolan-3-yl)-methylamino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is ZIHLRIIKNFPCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-15(10-7-8-19(17,18)9-10)13-6-5-12-11(13)3-2-4-14(12)16/h2-4,10,13,16H,5-9H2,1H3.
What are the key properties of 1-[(1,1-dioxothiolan-3-yl)-methylamino]-2,3-dihydro-1H-inden-4-ol?
1-[(1,1-dioxothiolan-3-yl)-methylamino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 281.38 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothiolan-3-yl)-methylamino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 82982631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).