N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine

C14H19NO2S — CID 54915142

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESO=S1(=O)CCC(CNC2Cc3ccccc3C2)C1
InChIInChI=1S/C14H19NO2S/c16-18(17)6-5-11(10-18)9-15-14-7-12-3-1-2-4-13(12)8-14/h1-4,11,14-15H,5-10H2
InChIKeyQERICUKESPDDNR-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.18
Rot. Bonds3

About N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 54915142) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID54915142
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESO=S1(=O)CCC(CNC2Cc3ccccc3C2)C1
InChIInChI=1S/C14H19NO2S/c16-18(17)6-5-11(10-18)9-15-14-7-12-3-1-2-4-13(12)8-14/h1-4,11,14-15H,5-10H2
InChIKeyQERICUKESPDDNR-UHFFFAOYSA-N
XLogP1.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 54915639
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
N-[(1,1-dioxothiolan-3-yl)methyl]-3,4-dihydro-1H-isothiochromen-4-amine
CID 54915460
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,1-dioxothiolan-3-amine
CID 60816010
3-(4-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]cyclobutan-1-amine
CID 61058760
(3S)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 94020742
1-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylprop-2-enyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
CID 119132811
N-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 107849959
4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine
CID 60733471
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 94021427
1-(1,1-dioxothiolan-3-yl)-N-[(2-fluorophenyl)methyl]methanamine
CID 60733465
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81141160

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine (CID 54915142) is N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine is O=S1(=O)CCC(CNC2Cc3ccccc3C2)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is QERICUKESPDDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-18(17)6-5-11(10-18)9-15-14-7-12-3-1-2-4-13(12)8-14/h1-4,11,14-15H,5-10H2.
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 265.38 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 54915142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).