N-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine

C14H21NO2S — CID 64628532

IUPACN-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine
SMILESCCNC1CCOCC1Sc1ccccc1OC
InChIInChI=1S/C14H21NO2S/c1-3-15-11-8-9-17-10-14(11)18-13-7-5-4-6-12(13)16-2/h4-7,11,14-15H,3,8-10H2,1-2H3
InChIKeyAWXZAZCVGDFJLF-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.55
Rot. Bonds5

About N-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine

N-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine (PubChem CID 64628532) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine
PubChem CID64628532
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine
SMILESCCNC1CCOCC1Sc1ccccc1OC
InChIInChI=1S/C14H21NO2S/c1-3-15-11-8-9-17-10-14(11)18-13-7-5-4-6-12(13)16-2/h4-7,11,14-15H,3,8-10H2,1-2H3
InChIKeyAWXZAZCVGDFJLF-UHFFFAOYSA-N
XLogP2.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine?
The IUPAC name of N-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine (CID 64628532) is N-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine.
What is the SMILES notation for N-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine?
The canonical SMILES for N-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine is CCNC1CCOCC1Sc1ccccc1OC.
What is the InChIKey of N-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine?
The InChIKey is AWXZAZCVGDFJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-15-11-8-9-17-10-14(11)18-13-7-5-4-6-12(13)16-2/h4-7,11,14-15H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine?
N-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine has a molecular weight of 267.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine is sourced from PubChem (CID 64628532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).