N-[(1-fluorocyclopentyl)methyl]thian-4-amine

C11H20FNS — CID 131159823

IUPACN-[(1-fluorocyclopentyl)methyl]thian-4-amine
SMILESFC1(CNC2CCSCC2)CCCC1
InChIInChI=1S/C11H20FNS/c12-11(5-1-2-6-11)9-13-10-3-7-14-8-4-10/h10,13H,1-9H2
InChIKeyAECVSBFEXZUWRT-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.75
Rot. Bonds3

About N-[(1-fluorocyclopentyl)methyl]thian-4-amine

N-[(1-fluorocyclopentyl)methyl]thian-4-amine (PubChem CID 131159823) has the molecular formula C11H20FNS and a molecular weight of 217.35 g/mol. Its IUPAC name is N-[(1-fluorocyclopentyl)methyl]thian-4-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclopentyl)methyl]thian-4-amine
PubChem CID131159823
Molecular FormulaC11H20FNS
Molecular Weight217.35 g/mol
Exact Mass217.13
IUPAC NameN-[(1-fluorocyclopentyl)methyl]thian-4-amine
SMILESFC1(CNC2CCSCC2)CCCC1
InChIInChI=1S/C11H20FNS/c12-11(5-1-2-6-11)9-13-10-3-7-14-8-4-10/h10,13H,1-9H2
InChIKeyAECVSBFEXZUWRT-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-4-amine?
The IUPAC name of N-[(1-fluorocyclopentyl)methyl]thian-4-amine (CID 131159823) is N-[(1-fluorocyclopentyl)methyl]thian-4-amine.
What is the SMILES notation for N-[(1-fluorocyclopentyl)methyl]thian-4-amine?
The canonical SMILES for N-[(1-fluorocyclopentyl)methyl]thian-4-amine is FC1(CNC2CCSCC2)CCCC1.
What is the InChIKey of N-[(1-fluorocyclopentyl)methyl]thian-4-amine?
The InChIKey is AECVSBFEXZUWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNS/c12-11(5-1-2-6-11)9-13-10-3-7-14-8-4-10/h10,13H,1-9H2.
What are the key properties of N-[(1-fluorocyclopentyl)methyl]thian-4-amine?
N-[(1-fluorocyclopentyl)methyl]thian-4-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-4-amine is sourced from PubChem (CID 131159823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).