N-methyl-1-(thietan-3-ylidene)methanamine

C5H9NS — CID 141354920

IUPACN-methyl-1-(thietan-3-ylidene)methanamine
SMILESCNC=C1CSC1
InChIInChI=1S/C5H9NS/c1-6-2-5-3-7-4-5/h2,6H,3-4H2,1H3
InChIKeyULHJUYPSEMAJMC-UHFFFAOYSA-N
MW115.20 g/mol
LogP0.84
Rot. Bonds1

About N-methyl-1-(thietan-3-ylidene)methanamine

N-methyl-1-(thietan-3-ylidene)methanamine (PubChem CID 141354920) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is N-methyl-1-(thietan-3-ylidene)methanamine.

Molecular Properties

Compound NameN-methyl-1-(thietan-3-ylidene)methanamine
PubChem CID141354920
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC NameN-methyl-1-(thietan-3-ylidene)methanamine
SMILESCNC=C1CSC1
InChIInChI=1S/C5H9NS/c1-6-2-5-3-7-4-5/h2,6H,3-4H2,1H3
InChIKeyULHJUYPSEMAJMC-UHFFFAOYSA-N
XLogP0.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(thietan-3-ylidene)methanamine?
The IUPAC name of N-methyl-1-(thietan-3-ylidene)methanamine (CID 141354920) is N-methyl-1-(thietan-3-ylidene)methanamine.
What is the SMILES notation for N-methyl-1-(thietan-3-ylidene)methanamine?
The canonical SMILES for N-methyl-1-(thietan-3-ylidene)methanamine is CNC=C1CSC1.
What is the InChIKey of N-methyl-1-(thietan-3-ylidene)methanamine?
The InChIKey is ULHJUYPSEMAJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-6-2-5-3-7-4-5/h2,6H,3-4H2,1H3.
What are the key properties of N-methyl-1-(thietan-3-ylidene)methanamine?
N-methyl-1-(thietan-3-ylidene)methanamine has a molecular weight of 115.20 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 N-methyl-1-(thietan-3-ylidene)methanamine is sourced from PubChem (CID 141354920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).