thietan-2-ylmethanamine;hydrochloride

C4H10ClNS — CID 75525729

IUPACthietan-2-ylmethanamine;hydrochloride
SMILESCl.NCC1CCS1
InChIInChI=1S/C4H9NS.ClH/c5-3-4-1-2-6-4;/h4H,1-3,5H2;1H
InChIKeyZURNKFYTXGZBJT-UHFFFAOYSA-N
MW139.65 g/mol
LogP0.87
Rot. Bonds1

About thietan-2-ylmethanamine;hydrochloride

thietan-2-ylmethanamine;hydrochloride (PubChem CID 75525729) has the molecular formula C4H10ClNS and a molecular weight of 139.65 g/mol. Its IUPAC name is thietan-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Namethietan-2-ylmethanamine;hydrochloride
PubChem CID75525729
Molecular FormulaC4H10ClNS
Molecular Weight139.65 g/mol
Exact Mass139.02
IUPAC Namethietan-2-ylmethanamine;hydrochloride
SMILESCl.NCC1CCS1
InChIInChI=1S/C4H9NS.ClH/c5-3-4-1-2-6-4;/h4H,1-3,5H2;1H
InChIKeyZURNKFYTXGZBJT-UHFFFAOYSA-N
XLogP0.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.65
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thietan-2-ylmethanamine;hydrochloride?
The IUPAC name of thietan-2-ylmethanamine;hydrochloride (CID 75525729) is thietan-2-ylmethanamine;hydrochloride.
What is the SMILES notation for thietan-2-ylmethanamine;hydrochloride?
The canonical SMILES for thietan-2-ylmethanamine;hydrochloride is Cl.NCC1CCS1.
What is the InChIKey of thietan-2-ylmethanamine;hydrochloride?
The InChIKey is ZURNKFYTXGZBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS.ClH/c5-3-4-1-2-6-4;/h4H,1-3,5H2;1H.
What are the key properties of thietan-2-ylmethanamine;hydrochloride?
thietan-2-ylmethanamine;hydrochloride has a molecular weight of 139.65 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thietan-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 75525729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).