3-fluoro-3-methyl-N-(thiolan-3-ylmethyl)cyclobutan-1-amine

C10H18FNS — CID 126793603

IUPAC3-fluoro-3-methyl-N-(thiolan-3-ylmethyl)cyclobutan-1-amine
SMILESCC1(F)CC(NCC2CCSC2)C1
InChIInChI=1S/C10H18FNS/c1-10(11)4-9(5-10)12-6-8-2-3-13-7-8/h8-9,12H,2-7H2,1H3
InChIKeyLLMABIJNEQOUIB-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.22
Rot. Bonds3

About 3-fluoro-3-methyl-N-(thiolan-3-ylmethyl)cyclobutan-1-amine

3-fluoro-3-methyl-N-(thiolan-3-ylmethyl)cyclobutan-1-amine (PubChem CID 126793603) has the molecular formula C10H18FNS and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-fluoro-3-methyl-N-(thiolan-3-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-methyl-N-(thiolan-3-ylmethyl)cyclobutan-1-amine
PubChem CID126793603
Molecular FormulaC10H18FNS
Molecular Weight203.33 g/mol
Exact Mass203.11
IUPAC Name3-fluoro-3-methyl-N-(thiolan-3-ylmethyl)cyclobutan-1-amine
SMILESCC1(F)CC(NCC2CCSC2)C1
InChIInChI=1S/C10H18FNS/c1-10(11)4-9(5-10)12-6-8-2-3-13-7-8/h8-9,12H,2-7H2,1H3
InChIKeyLLMABIJNEQOUIB-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-N-(thiolan-3-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-methyl-N-(thiolan-3-ylmethyl)cyclobutan-1-amine (CID 126793603) is 3-fluoro-3-methyl-N-(thiolan-3-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-methyl-N-(thiolan-3-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-methyl-N-(thiolan-3-ylmethyl)cyclobutan-1-amine is CC1(F)CC(NCC2CCSC2)C1.
What is the InChIKey of 3-fluoro-3-methyl-N-(thiolan-3-ylmethyl)cyclobutan-1-amine?
The InChIKey is LLMABIJNEQOUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNS/c1-10(11)4-9(5-10)12-6-8-2-3-13-7-8/h8-9,12H,2-7H2,1H3.
What are the key properties of 3-fluoro-3-methyl-N-(thiolan-3-ylmethyl)cyclobutan-1-amine?
3-fluoro-3-methyl-N-(thiolan-3-ylmethyl)cyclobutan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-N-(thiolan-3-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 126793603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).