thietan-3-ylidenemethanamine

C4H7NS — CID 89417703

IUPACthietan-3-ylidenemethanamine
SMILESNC=C1CSC1
InChIInChI=1S/C4H7NS/c5-1-4-2-6-3-4/h1H,2-3,5H2
InChIKeyABDZTMBRRWFZDS-UHFFFAOYSA-N
MW101.17 g/mol
LogP0.58
Rot. Bonds

About thietan-3-ylidenemethanamine

thietan-3-ylidenemethanamine (PubChem CID 89417703) has the molecular formula C4H7NS and a molecular weight of 101.17 g/mol. Its IUPAC name is thietan-3-ylidenemethanamine.

Molecular Properties

Compound Namethietan-3-ylidenemethanamine
PubChem CID89417703
Molecular FormulaC4H7NS
Molecular Weight101.17 g/mol
Exact Mass101.03
IUPAC Namethietan-3-ylidenemethanamine
SMILESNC=C1CSC1
InChIInChI=1S/C4H7NS/c5-1-4-2-6-3-4/h1H,2-3,5H2
InChIKeyABDZTMBRRWFZDS-UHFFFAOYSA-N
XLogP0.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thietan-3-ylidenemethanamine?
The IUPAC name of thietan-3-ylidenemethanamine (CID 89417703) is thietan-3-ylidenemethanamine.
What is the SMILES notation for thietan-3-ylidenemethanamine?
The canonical SMILES for thietan-3-ylidenemethanamine is NC=C1CSC1.
What is the InChIKey of thietan-3-ylidenemethanamine?
The InChIKey is ABDZTMBRRWFZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS/c5-1-4-2-6-3-4/h1H,2-3,5H2.
What are the key properties of thietan-3-ylidenemethanamine?
thietan-3-ylidenemethanamine has a molecular weight of 101.17 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thietan-3-ylidenemethanamine is sourced from PubChem (CID 89417703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).