thiolan-2-ylmethanamine

C5H11NS — CID 15629560

IUPACthiolan-2-ylmethanamine
SMILESNCC1CCCS1
InChIInChI=1S/C5H11NS/c6-4-5-2-1-3-7-5/h5H,1-4,6H2
InChIKeyFLHFMMKGHUKQHI-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.84
Rot. Bonds1

About thiolan-2-ylmethanamine

thiolan-2-ylmethanamine (PubChem CID 15629560) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is thiolan-2-ylmethanamine.

Molecular Properties

Compound Namethiolan-2-ylmethanamine
PubChem CID15629560
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Namethiolan-2-ylmethanamine
SMILESNCC1CCCS1
InChIInChI=1S/C5H11NS/c6-4-5-2-1-3-7-5/h5H,1-4,6H2
InChIKeyFLHFMMKGHUKQHI-UHFFFAOYSA-N
XLogP0.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thiolan-2-ylmethanamine?
The IUPAC name of thiolan-2-ylmethanamine (CID 15629560) is thiolan-2-ylmethanamine.
What is the SMILES notation for thiolan-2-ylmethanamine?
The canonical SMILES for thiolan-2-ylmethanamine is NCC1CCCS1.
What is the InChIKey of thiolan-2-ylmethanamine?
The InChIKey is FLHFMMKGHUKQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c6-4-5-2-1-3-7-5/h5H,1-4,6H2.
What are the key properties of thiolan-2-ylmethanamine?
thiolan-2-ylmethanamine has a molecular weight of 117.22 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiolan-2-ylmethanamine is sourced from PubChem (CID 15629560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).