N-[(1-fluorocyclopentyl)methyl]thian-3-amine

C11H20FNS — CID 130637851

IUPACN-[(1-fluorocyclopentyl)methyl]thian-3-amine
SMILESFC1(CNC2CCCSC2)CCCC1
InChIInChI=1S/C11H20FNS/c12-11(5-1-2-6-11)9-13-10-4-3-7-14-8-10/h10,13H,1-9H2
InChIKeyCDHBZSYPTOKOJW-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.75
Rot. Bonds3

About N-[(1-fluorocyclopentyl)methyl]thian-3-amine

N-[(1-fluorocyclopentyl)methyl]thian-3-amine (PubChem CID 130637851) has the molecular formula C11H20FNS and a molecular weight of 217.35 g/mol. Its IUPAC name is N-[(1-fluorocyclopentyl)methyl]thian-3-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclopentyl)methyl]thian-3-amine
PubChem CID130637851
Molecular FormulaC11H20FNS
Molecular Weight217.35 g/mol
Exact Mass217.13
IUPAC NameN-[(1-fluorocyclopentyl)methyl]thian-3-amine
SMILESFC1(CNC2CCCSC2)CCCC1
InChIInChI=1S/C11H20FNS/c12-11(5-1-2-6-11)9-13-10-4-3-7-14-8-10/h10,13H,1-9H2
InChIKeyCDHBZSYPTOKOJW-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclopentyl)methyl]thian-3-amine?
The IUPAC name of N-[(1-fluorocyclopentyl)methyl]thian-3-amine (CID 130637851) is N-[(1-fluorocyclopentyl)methyl]thian-3-amine.
What is the SMILES notation for N-[(1-fluorocyclopentyl)methyl]thian-3-amine?
The canonical SMILES for N-[(1-fluorocyclopentyl)methyl]thian-3-amine is FC1(CNC2CCCSC2)CCCC1.
What is the InChIKey of N-[(1-fluorocyclopentyl)methyl]thian-3-amine?
The InChIKey is CDHBZSYPTOKOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNS/c12-11(5-1-2-6-11)9-13-10-4-3-7-14-8-10/h10,13H,1-9H2.
What are the key properties of N-[(1-fluorocyclopentyl)methyl]thian-3-amine?
N-[(1-fluorocyclopentyl)methyl]thian-3-amine has a molecular weight of 217.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopentyl)methyl]thian-3-amine is sourced from PubChem (CID 130637851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).