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

C10H18FNS — CID 130626719

IUPACN-[(1-fluorocyclopentyl)methyl]thiolan-3-amine
SMILESFC1(CNC2CCSC2)CCCC1
InChIInChI=1S/C10H18FNS/c11-10(4-1-2-5-10)8-12-9-3-6-13-7-9/h9,12H,1-8H2
InChIKeyIITNTECALRBGOI-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.36
Rot. Bonds3

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

N-[(1-fluorocyclopentyl)methyl]thiolan-3-amine (PubChem CID 130626719) has the molecular formula C10H18FNS and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[(1-fluorocyclopentyl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclopentyl)methyl]thiolan-3-amine
PubChem CID130626719
Molecular FormulaC10H18FNS
Molecular Weight203.33 g/mol
Exact Mass203.11
IUPAC NameN-[(1-fluorocyclopentyl)methyl]thiolan-3-amine
SMILESFC1(CNC2CCSC2)CCCC1
InChIInChI=1S/C10H18FNS/c11-10(4-1-2-5-10)8-12-9-3-6-13-7-9/h9,12H,1-8H2
InChIKeyIITNTECALRBGOI-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.36
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]thiolan-3-amine?
The IUPAC name of N-[(1-fluorocyclopentyl)methyl]thiolan-3-amine (CID 130626719) is N-[(1-fluorocyclopentyl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(1-fluorocyclopentyl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(1-fluorocyclopentyl)methyl]thiolan-3-amine is FC1(CNC2CCSC2)CCCC1.
What is the InChIKey of N-[(1-fluorocyclopentyl)methyl]thiolan-3-amine?
The InChIKey is IITNTECALRBGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNS/c11-10(4-1-2-5-10)8-12-9-3-6-13-7-9/h9,12H,1-8H2.
What are the key properties of N-[(1-fluorocyclopentyl)methyl]thiolan-3-amine?
N-[(1-fluorocyclopentyl)methyl]thiolan-3-amine has a molecular weight of 203.33 g/mol, XLogP of 2.36, 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]thiolan-3-amine is sourced from PubChem (CID 130626719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).