N-[(6-fluoro-3-pyridinyl)methyl]thiolan-3-amine

C10H13FN2S — CID 131110697

IUPACN-[(6-fluoro-3-pyridinyl)methyl]thiolan-3-amine
SMILESFc1ccc(CNC2CCSC2)cn1
InChIInChI=1S/C10H13FN2S/c11-10-2-1-8(6-13-10)5-12-9-3-4-14-7-9/h1-2,6,9,12H,3-5,7H2
InChIKeyYNXGHFJQRKGSNR-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.82
Rot. Bonds3

About N-[(6-fluoro-3-pyridinyl)methyl]thiolan-3-amine

N-[(6-fluoro-3-pyridinyl)methyl]thiolan-3-amine (PubChem CID 131110697) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[(6-fluoro-3-pyridinyl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(6-fluoro-3-pyridinyl)methyl]thiolan-3-amine
PubChem CID131110697
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC NameN-[(6-fluoro-3-pyridinyl)methyl]thiolan-3-amine
SMILESFc1ccc(CNC2CCSC2)cn1
InChIInChI=1S/C10H13FN2S/c11-10-2-1-8(6-13-10)5-12-9-3-4-14-7-9/h1-2,6,9,12H,3-5,7H2
InChIKeyYNXGHFJQRKGSNR-UHFFFAOYSA-N
XLogP1.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[4-[(thiolan-3-ylamino)methyl]phenyl]methanol
CID 103062820
N-[(4-phenylphenyl)methyl]thiolan-3-amine
CID 103701499
N-[(4-propoxyphenyl)methyl]thiolan-3-amine
CID 103701552
N-[[4-(difluoromethyl)phenyl]methyl]thian-3-amine
CID 104773477
N-[(4-methylsulfanylphenyl)methyl]thian-3-amine
CID 115676008
N-[[4-(trifluoromethyl)phenyl]methyl]thian-3-amine
CID 62880283
N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiolan-3-amine
CID 61240401
N-(pyridin-2-ylmethyl)thiolan-3-amine
CID 43178951
(3S)-N-[(3,4-dimethoxyphenyl)methyl]thiolan-3-amine
CID 28646937
N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine
CID 103701618
methyl 4-[(thiolan-3-ylamino)methyl]benzoate
CID 103923433
N-[(3-fluoro-5-methoxyphenyl)methyl]thiolan-3-amine
CID 115897442

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-3-pyridinyl)methyl]thiolan-3-amine?
The IUPAC name of N-[(6-fluoro-3-pyridinyl)methyl]thiolan-3-amine (CID 131110697) is N-[(6-fluoro-3-pyridinyl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(6-fluoro-3-pyridinyl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(6-fluoro-3-pyridinyl)methyl]thiolan-3-amine is Fc1ccc(CNC2CCSC2)cn1.
What is the InChIKey of N-[(6-fluoro-3-pyridinyl)methyl]thiolan-3-amine?
The InChIKey is YNXGHFJQRKGSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2S/c11-10-2-1-8(6-13-10)5-12-9-3-4-14-7-9/h1-2,6,9,12H,3-5,7H2.
What are the key properties of N-[(6-fluoro-3-pyridinyl)methyl]thiolan-3-amine?
N-[(6-fluoro-3-pyridinyl)methyl]thiolan-3-amine has a molecular weight of 212.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-3-pyridinyl)methyl]thiolan-3-amine is sourced from PubChem (CID 131110697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).