N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine

C13H16FNS — CID 115889550

IUPACN-(6-fluoro-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine
SMILESFc1ccc2c(c1)C(NC1CCSC1)CC2
InChIInChI=1S/C13H16FNS/c14-10-3-1-9-2-4-13(12(9)7-10)15-11-5-6-16-8-11/h1,3,7,11,13,15H,2,4-6,8H2
InChIKeySPHHJVAIDDQQLP-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.91
Rot. Bonds2

About N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine

N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine (PubChem CID 115889550) has the molecular formula C13H16FNS and a molecular weight of 237.34 g/mol. Its IUPAC name is N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine.

Molecular Properties

Compound NameN-(6-fluoro-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine
PubChem CID115889550
Molecular FormulaC13H16FNS
Molecular Weight237.34 g/mol
Exact Mass237.10
IUPAC NameN-(6-fluoro-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine
SMILESFc1ccc2c(c1)C(NC1CCSC1)CC2
InChIInChI=1S/C13H16FNS/c14-10-3-1-9-2-4-13(12(9)7-10)15-11-5-6-16-8-11/h1,3,7,11,13,15H,2,4-6,8H2
InChIKeySPHHJVAIDDQQLP-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

N-cyclopropyl-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83907357
N-(6-methyl-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine
CID 103901811
8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103606076
N-cyclooctyl-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530769
4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine
CID 103062345
4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122033746
N-cyclopropyl-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 75488646
(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906577
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-dithiepan-6-amine
CID 131929126
N-(3-fluorophenyl)thiolan-3-amine
CID 43194212
6-chloro-N-cyclopentyl-2,3-dihydro-1H-inden-1-amine
CID 115867576
(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 103922385

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine?
The IUPAC name of N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine (CID 115889550) is N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine.
What is the SMILES notation for N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine?
The canonical SMILES for N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine is Fc1ccc2c(c1)C(NC1CCSC1)CC2.
What is the InChIKey of N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine?
The InChIKey is SPHHJVAIDDQQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNS/c14-10-3-1-9-2-4-13(12(9)7-10)15-11-5-6-16-8-11/h1,3,7,11,13,15H,2,4-6,8H2.
What are the key properties of N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine?
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine has a molecular weight of 237.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine is sourced from PubChem (CID 115889550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).