[3-(5-chloro-2-methoxyphenyl)sulfanyloxetan-3-yl]methanamine

C11H14ClNO2S — CID 117035312

IUPAC[3-(5-chloro-2-methoxyphenyl)sulfanyloxetan-3-yl]methanamine
SMILESCOc1ccc(Cl)cc1SC1(CN)COC1
InChIInChI=1S/C11H14ClNO2S/c1-14-9-3-2-8(12)4-10(9)16-11(5-13)6-15-7-11/h2-4H,5-7,13H2,1H3
InChIKeyBQMTXAAGAICBFV-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.17
Rot. Bonds4

About [3-(5-chloro-2-methoxyphenyl)sulfanyloxetan-3-yl]methanamine

[3-(5-chloro-2-methoxyphenyl)sulfanyloxetan-3-yl]methanamine (PubChem CID 117035312) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is [3-(5-chloro-2-methoxyphenyl)sulfanyloxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(5-chloro-2-methoxyphenyl)sulfanyloxetan-3-yl]methanamine
PubChem CID117035312
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name[3-(5-chloro-2-methoxyphenyl)sulfanyloxetan-3-yl]methanamine
SMILESCOc1ccc(Cl)cc1SC1(CN)COC1
InChIInChI=1S/C11H14ClNO2S/c1-14-9-3-2-8(12)4-10(9)16-11(5-13)6-15-7-11/h2-4H,5-7,13H2,1H3
InChIKeyBQMTXAAGAICBFV-UHFFFAOYSA-N
XLogP2.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol
CID 117035253
3-(5-chloro-2-methoxyphenyl)sulfanyl-3-methylbutan-1-amine
CID 117032753
2-(5-chloro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853484
[2-(5-chloro-2-methoxyphenyl)-1,3-dioxan-2-yl]methanamine
CID 82132431
[3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930480
[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116601328
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
(5-chloro-2-methoxyphenyl)sulfanylformic acid
CID 117033458
4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol
CID 144977833
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65189959
[1-(3,4-dimethoxyphenyl)sulfanylcyclobutyl]methanamine
CID 117034954
[3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine
CID 116944913

Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-2-methoxyphenyl)sulfanyloxetan-3-yl]methanamine?
The IUPAC name of [3-(5-chloro-2-methoxyphenyl)sulfanyloxetan-3-yl]methanamine (CID 117035312) is [3-(5-chloro-2-methoxyphenyl)sulfanyloxetan-3-yl]methanamine.
What is the SMILES notation for [3-(5-chloro-2-methoxyphenyl)sulfanyloxetan-3-yl]methanamine?
The canonical SMILES for [3-(5-chloro-2-methoxyphenyl)sulfanyloxetan-3-yl]methanamine is COc1ccc(Cl)cc1SC1(CN)COC1.
What is the InChIKey of [3-(5-chloro-2-methoxyphenyl)sulfanyloxetan-3-yl]methanamine?
The InChIKey is BQMTXAAGAICBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-14-9-3-2-8(12)4-10(9)16-11(5-13)6-15-7-11/h2-4H,5-7,13H2,1H3.
What are the key properties of [3-(5-chloro-2-methoxyphenyl)sulfanyloxetan-3-yl]methanamine?
[3-(5-chloro-2-methoxyphenyl)sulfanyloxetan-3-yl]methanamine has a molecular weight of 259.76 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-2-methoxyphenyl)sulfanyloxetan-3-yl]methanamine is sourced from PubChem (CID 117035312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).