3-(methylsulfanylmethyl)azetidine;hydrochloride

C5H12ClNS — CID 24799126

IUPAC3-(methylsulfanylmethyl)azetidine;hydrochloride
SMILESCSCC1CNC1.Cl
InChIInChI=1S/C5H11NS.ClH/c1-7-4-5-2-6-3-5;/h5-6H,2-4H2,1H3;1H
InChIKeyNTUPAXOXVYDDTC-UHFFFAOYSA-N
MW153.68 g/mol
LogP0.99
Rot. Bonds2

About 3-(methylsulfanylmethyl)azetidine;hydrochloride

3-(methylsulfanylmethyl)azetidine;hydrochloride (PubChem CID 24799126) has the molecular formula C5H12ClNS and a molecular weight of 153.68 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)azetidine;hydrochloride
PubChem CID24799126
Molecular FormulaC5H12ClNS
Molecular Weight153.68 g/mol
Exact Mass153.04
IUPAC Name3-(methylsulfanylmethyl)azetidine;hydrochloride
SMILESCSCC1CNC1.Cl
InChIInChI=1S/C5H11NS.ClH/c1-7-4-5-2-6-3-5;/h5-6H,2-4H2,1H3;1H
InChIKeyNTUPAXOXVYDDTC-UHFFFAOYSA-N
XLogP0.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.68
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)azetidine;hydrochloride?
The IUPAC name of 3-(methylsulfanylmethyl)azetidine;hydrochloride (CID 24799126) is 3-(methylsulfanylmethyl)azetidine;hydrochloride.
What is the SMILES notation for 3-(methylsulfanylmethyl)azetidine;hydrochloride?
The canonical SMILES for 3-(methylsulfanylmethyl)azetidine;hydrochloride is CSCC1CNC1.Cl.
What is the InChIKey of 3-(methylsulfanylmethyl)azetidine;hydrochloride?
The InChIKey is NTUPAXOXVYDDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS.ClH/c1-7-4-5-2-6-3-5;/h5-6H,2-4H2,1H3;1H.
What are the key properties of 3-(methylsulfanylmethyl)azetidine;hydrochloride?
3-(methylsulfanylmethyl)azetidine;hydrochloride has a molecular weight of 153.68 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)azetidine;hydrochloride is sourced from PubChem (CID 24799126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).