N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-2-amine

C10H19FN2S — CID 105473229

IUPACN-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-2-amine
SMILESNC1CCC(F)(CNC2CCCS2)C1
InChIInChI=1S/C10H19FN2S/c11-10(4-3-8(12)6-10)7-13-9-2-1-5-14-9/h8-9,13H,1-7,12H2
InChIKeyOKWREHVWGRILEH-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.65
Rot. Bonds3

About N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-2-amine

N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-2-amine (PubChem CID 105473229) has the molecular formula C10H19FN2S and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-2-amine.

Molecular Properties

Compound NameN-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-2-amine
PubChem CID105473229
Molecular FormulaC10H19FN2S
Molecular Weight218.34 g/mol
Exact Mass218.13
IUPAC NameN-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-2-amine
SMILESNC1CCC(F)(CNC2CCCS2)C1
InChIInChI=1S/C10H19FN2S/c11-10(4-3-8(12)6-10)7-13-9-2-1-5-14-9/h8-9,13H,1-7,12H2
InChIKeyOKWREHVWGRILEH-UHFFFAOYSA-N
XLogP1.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-2-amine?
The IUPAC name of N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-2-amine (CID 105473229) is N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-2-amine.
What is the SMILES notation for N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-2-amine?
The canonical SMILES for N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-2-amine is NC1CCC(F)(CNC2CCCS2)C1.
What is the InChIKey of N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-2-amine?
The InChIKey is OKWREHVWGRILEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2S/c11-10(4-3-8(12)6-10)7-13-9-2-1-5-14-9/h8-9,13H,1-7,12H2.
What are the key properties of N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-2-amine?
N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-2-amine has a molecular weight of 218.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-2-amine is sourced from PubChem (CID 105473229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).