3-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]butan-1-amine

C15H23NOS — CID 116870219

IUPAC3-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]butan-1-amine
SMILESCCSc1ccc(C2(C(C)CCN)COC2)cc1
InChIInChI=1S/C15H23NOS/c1-3-18-14-6-4-13(5-7-14)15(10-17-11-15)12(2)8-9-16/h4-7,12H,3,8-11,16H2,1-2H3
InChIKeyPNXKIWBWUWCAMW-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.05
Rot. Bonds6

About 3-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]butan-1-amine

3-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]butan-1-amine (PubChem CID 116870219) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]butan-1-amine.

Molecular Properties

Compound Name3-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]butan-1-amine
PubChem CID116870219
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name3-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]butan-1-amine
SMILESCCSc1ccc(C2(C(C)CCN)COC2)cc1
InChIInChI=1S/C15H23NOS/c1-3-18-14-6-4-13(5-7-14)15(10-17-11-15)12(2)8-9-16/h4-7,12H,3,8-11,16H2,1-2H3
InChIKeyPNXKIWBWUWCAMW-UHFFFAOYSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine
CID 116870189
2-(4-ethylsulfanylphenyl)-2-methyloxirane
CID 82469117
1-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]ethanone
CID 116873753
3-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]butan-1-amine
CID 116870231
2-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]acetic acid
CID 116871876
3-N-[2-(4-ethylsulfanylphenyl)ethyl]-3-N-methylbutane-1,3-diamine
CID 117040479
1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine
CID 116947074
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
(4-ethylsulfanylphenyl)methanamine
CID 12842467
1-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine
CID 116933128
1-chloro-4-ethylsulfanylbenzene
CID 5324154
2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol
CID 116874468

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]butan-1-amine?
The IUPAC name of 3-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]butan-1-amine (CID 116870219) is 3-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]butan-1-amine.
What is the SMILES notation for 3-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]butan-1-amine?
The canonical SMILES for 3-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]butan-1-amine is CCSc1ccc(C2(C(C)CCN)COC2)cc1.
What is the InChIKey of 3-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]butan-1-amine?
The InChIKey is PNXKIWBWUWCAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-18-14-6-4-13(5-7-14)15(10-17-11-15)12(2)8-9-16/h4-7,12H,3,8-11,16H2,1-2H3.
What are the key properties of 3-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]butan-1-amine?
3-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]butan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]butan-1-amine is sourced from PubChem (CID 116870219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).