N-(3-fluorophenyl)thiolan-3-amine

C10H12FNS — CID 43194212

IUPACN-(3-fluorophenyl)thiolan-3-amine
SMILESFc1cccc(NC2CCSC2)c1
InChIInChI=1S/C10H12FNS/c11-8-2-1-3-9(6-8)12-10-4-5-13-7-10/h1-3,6,10,12H,4-5,7H2
InChIKeyPNTNAJVZWJTGDL-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.74
Rot. Bonds2

About N-(3-fluorophenyl)thiolan-3-amine

N-(3-fluorophenyl)thiolan-3-amine (PubChem CID 43194212) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)thiolan-3-amine
PubChem CID43194212
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC NameN-(3-fluorophenyl)thiolan-3-amine
SMILESFc1cccc(NC2CCSC2)c1
InChIInChI=1S/C10H12FNS/c11-8-2-1-3-9(6-8)12-10-4-5-13-7-10/h1-3,6,10,12H,4-5,7H2
InChIKeyPNTNAJVZWJTGDL-UHFFFAOYSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-propan-2-ylphenyl)thiolan-3-amine
CID 43204585
N-(3,5-difluorophenyl)thian-3-amine
CID 62871053
4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine
CID 103062345
3-fluoro-N-(thiolan-3-yl)benzamide
CID 126773687
3-[3-(thiolan-3-ylamino)phenyl]propanoic acid
CID 122044562
N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511245
N-(3,4-dimethylcyclohexyl)-3-fluoroaniline
CID 64731978
N-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine
CID 43132893
N-(2,6-dichlorophenyl)thiolan-3-amine
CID 65467790
N-[4-(trifluoromethyl)phenyl]thiolan-3-amine
CID 43192848
3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560797
N-(3-bromo-4-methylphenyl)thiolan-3-amine
CID 63333574

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)thiolan-3-amine?
The IUPAC name of N-(3-fluorophenyl)thiolan-3-amine (CID 43194212) is N-(3-fluorophenyl)thiolan-3-amine.
What is the SMILES notation for N-(3-fluorophenyl)thiolan-3-amine?
The canonical SMILES for N-(3-fluorophenyl)thiolan-3-amine is Fc1cccc(NC2CCSC2)c1.
What is the InChIKey of N-(3-fluorophenyl)thiolan-3-amine?
The InChIKey is PNTNAJVZWJTGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNS/c11-8-2-1-3-9(6-8)12-10-4-5-13-7-10/h1-3,6,10,12H,4-5,7H2.
What are the key properties of N-(3-fluorophenyl)thiolan-3-amine?
N-(3-fluorophenyl)thiolan-3-amine has a molecular weight of 197.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)thiolan-3-amine is sourced from PubChem (CID 43194212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).