3-(thiolan-2-yl)propan-1-amine

C7H15NS — CID 83479274

IUPAC3-(thiolan-2-yl)propan-1-amine
SMILESNCCCC1CCCS1
InChIInChI=1S/C7H15NS/c8-5-1-3-7-4-2-6-9-7/h7H,1-6,8H2
InChIKeyVAUZOVRYYUAMHE-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.62
Rot. Bonds3

About 3-(thiolan-2-yl)propan-1-amine

3-(thiolan-2-yl)propan-1-amine (PubChem CID 83479274) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3-(thiolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(thiolan-2-yl)propan-1-amine
PubChem CID83479274
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3-(thiolan-2-yl)propan-1-amine
SMILESNCCCC1CCCS1
InChIInChI=1S/C7H15NS/c8-5-1-3-7-4-2-6-9-7/h7H,1-6,8H2
InChIKeyVAUZOVRYYUAMHE-UHFFFAOYSA-N
XLogP1.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-2-yl)propan-1-amine?
The IUPAC name of 3-(thiolan-2-yl)propan-1-amine (CID 83479274) is 3-(thiolan-2-yl)propan-1-amine.
What is the SMILES notation for 3-(thiolan-2-yl)propan-1-amine?
The canonical SMILES for 3-(thiolan-2-yl)propan-1-amine is NCCCC1CCCS1.
What is the InChIKey of 3-(thiolan-2-yl)propan-1-amine?
The InChIKey is VAUZOVRYYUAMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c8-5-1-3-7-4-2-6-9-7/h7H,1-6,8H2.
What are the key properties of 3-(thiolan-2-yl)propan-1-amine?
3-(thiolan-2-yl)propan-1-amine has a molecular weight of 145.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-2-yl)propan-1-amine is sourced from PubChem (CID 83479274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).