1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine

C11H14ClNOS — CID 114865010

IUPAC1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1SC1COC1
InChIInChI=1S/C11H14ClNOS/c1-13-5-8-4-9(12)2-3-11(8)15-10-6-14-7-10/h2-4,10,13H,5-7H2,1H3
InChIKeyWYMMSOZAQUDTEU-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.55
Rot. Bonds4

About 1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine

1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine (PubChem CID 114865010) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine
PubChem CID114865010
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1SC1COC1
InChIInChI=1S/C11H14ClNOS/c1-13-5-8-4-9(12)2-3-11(8)15-10-6-14-7-10/h2-4,10,13H,5-7H2,1H3
InChIKeyWYMMSOZAQUDTEU-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine
CID 114865006
N-[[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 114865012
1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine
CID 82553451
1-(2-tert-butylsulfanyl-5-chlorophenyl)-N-methylmethanamine
CID 114863850
1-[5-chloro-2-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine
CID 114864215
1-[5-chloro-2-(2-methylphenyl)sulfanylphenyl]-N-methylmethanamine
CID 114864440
1-(5-chloro-2-cyclopropylphenyl)-N-methylmethanamine
CID 66160497
1-[5-chloro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 106926417
1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine
CID 114864516
5-chloro-N'-hydroxy-2-(oxetan-3-ylsulfanyl)benzenecarboximidamide
CID 79326178
4-chloro-2-(methylaminomethyl)aniline
CID 21064005
1-[5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]phenyl]-N-methylmethanamine
CID 114864925

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine (CID 114865010) is 1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1SC1COC1.
What is the InChIKey of 1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine?
The InChIKey is WYMMSOZAQUDTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-13-5-8-4-9(12)2-3-11(8)15-10-6-14-7-10/h2-4,10,13H,5-7H2,1H3.
What are the key properties of 1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine has a molecular weight of 243.76 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114865010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).