N-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine

C14H18FNO2S — CID 115708242

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESO=S1(=O)CCC(CNC2CCc3cc(F)ccc32)C1
InChIInChI=1S/C14H18FNO2S/c15-12-2-3-13-11(7-12)1-4-14(13)16-8-10-5-6-19(17,18)9-10/h2-3,7,10,14,16H,1,4-6,8-9H2
InChIKeyIQMZHBHNTLEZCV-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.84
Rot. Bonds3

About N-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 115708242) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID115708242
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESO=S1(=O)CCC(CNC2CCc3cc(F)ccc32)C1
InChIInChI=1S/C14H18FNO2S/c15-12-2-3-13-11(7-12)1-4-14(13)16-8-10-5-6-19(17,18)9-10/h2-3,7,10,14,16H,1,4-6,8-9H2
InChIKeyIQMZHBHNTLEZCV-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.84
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-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530842
N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 61057213
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115718703
N-[(1,1-dioxothiolan-3-yl)methyl]-3,4-dihydro-1H-isothiochromen-4-amine
CID 54915460
5-fluoro-N-(thiolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 115727687
5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115706133
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanenitrile
CID 115591788
2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethylurea
CID 116531124
5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol
CID 107303158
5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
CID 116531093
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107386305

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine (CID 115708242) is N-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine is O=S1(=O)CCC(CNC2CCc3cc(F)ccc32)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is IQMZHBHNTLEZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c15-12-2-3-13-11(7-12)1-4-14(13)16-8-10-5-6-19(17,18)9-10/h2-3,7,10,14,16H,1,4-6,8-9H2.
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 283.37 g/mol, XLogP of 1.84, 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]-5-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115708242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).