(2R)-2-(2-tert-butylsulfanylphenyl)azetidine;hydrochloride

C13H20ClNS — CID 171197504

IUPAC(2R)-2-(2-tert-butylsulfanylphenyl)azetidine;hydrochloride
SMILESCC(C)(C)Sc1ccccc1[C@H]1CCN1.Cl
InChIInChI=1S/C13H19NS.ClH/c1-13(2,3)15-12-7-5-4-6-10(12)11-8-9-14-11;/h4-7,11,14H,8-9H2,1-3H3;1H/t11-;/m1./s1
InChIKeyYBODWDKLKGQDKN-RFVHGSKJSA-N
MW257.83 g/mol
LogP4.03
Rot. Bonds2

About (2R)-2-(2-tert-butylsulfanylphenyl)azetidine;hydrochloride

(2R)-2-(2-tert-butylsulfanylphenyl)azetidine;hydrochloride (PubChem CID 171197504) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is (2R)-2-(2-tert-butylsulfanylphenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2-tert-butylsulfanylphenyl)azetidine;hydrochloride
PubChem CID171197504
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC Name(2R)-2-(2-tert-butylsulfanylphenyl)azetidine;hydrochloride
SMILESCC(C)(C)Sc1ccccc1[C@H]1CCN1.Cl
InChIInChI=1S/C13H19NS.ClH/c1-13(2,3)15-12-7-5-4-6-10(12)11-8-9-14-11;/h4-7,11,14H,8-9H2,1-3H3;1H/t11-;/m1./s1
InChIKeyYBODWDKLKGQDKN-RFVHGSKJSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(2-tert-butylsulfanylphenyl)azetidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-tert-butylsulfanylphenyl)azetidine;hydrochloride?
The IUPAC name of (2R)-2-(2-tert-butylsulfanylphenyl)azetidine;hydrochloride (CID 171197504) is (2R)-2-(2-tert-butylsulfanylphenyl)azetidine;hydrochloride.
What is the SMILES notation for (2R)-2-(2-tert-butylsulfanylphenyl)azetidine;hydrochloride?
The canonical SMILES for (2R)-2-(2-tert-butylsulfanylphenyl)azetidine;hydrochloride is CC(C)(C)Sc1ccccc1[C@H]1CCN1.Cl.
What is the InChIKey of (2R)-2-(2-tert-butylsulfanylphenyl)azetidine;hydrochloride?
The InChIKey is YBODWDKLKGQDKN-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H19NS.ClH/c1-13(2,3)15-12-7-5-4-6-10(12)11-8-9-14-11;/h4-7,11,14H,8-9H2,1-3H3;1H/t11-;/m1./s1.
What are the key properties of (2R)-2-(2-tert-butylsulfanylphenyl)azetidine;hydrochloride?
(2R)-2-(2-tert-butylsulfanylphenyl)azetidine;hydrochloride has a molecular weight of 257.83 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-tert-butylsulfanylphenyl)azetidine;hydrochloride is sourced from PubChem (CID 171197504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).