N-[2-(4-methoxyphenyl)sulfanylethyl]oxan-4-amine

C14H21NO2S — CID 63100220

IUPACN-[2-(4-methoxyphenyl)sulfanylethyl]oxan-4-amine
SMILESCOc1ccc(SCCNC2CCOCC2)cc1
InChIInChI=1S/C14H21NO2S/c1-16-13-2-4-14(5-3-13)18-11-8-15-12-6-9-17-10-7-12/h2-5,12,15H,6-11H2,1H3
InChIKeyREECTPBHIUVMGG-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.56
Rot. Bonds6

About N-[2-(4-methoxyphenyl)sulfanylethyl]oxan-4-amine

N-[2-(4-methoxyphenyl)sulfanylethyl]oxan-4-amine (PubChem CID 63100220) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)sulfanylethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)sulfanylethyl]oxan-4-amine
PubChem CID63100220
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[2-(4-methoxyphenyl)sulfanylethyl]oxan-4-amine
SMILESCOc1ccc(SCCNC2CCOCC2)cc1
InChIInChI=1S/C14H21NO2S/c1-16-13-2-4-14(5-3-13)18-11-8-15-12-6-9-17-10-7-12/h2-5,12,15H,6-11H2,1H3
InChIKeyREECTPBHIUVMGG-UHFFFAOYSA-N
XLogP2.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)sulfanylethyl]cyclopropanamine
CID 61385788
N-[2-(4-methoxyphenyl)sulfanylethyl]-4-methylcyclohexan-1-amine
CID 62583747
N-[2-(3,4-dimethylphenyl)sulfanylethyl]oxan-4-amine
CID 63100221
N-(2-phenylsulfanylethyl)oxolan-3-amine
CID 63335095
N-[2-(3-chlorophenyl)sulfanylethyl]oxan-4-amine
CID 63098142
N-(2-pyrimidin-2-ylsulfanylethyl)oxan-4-amine
CID 63098672
N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine
CID 63099175
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine
CID 63100210
N-[(4-methoxyphenyl)methyl]oxolan-3-amine
CID 63332037
N-(2-methoxyethyl)oxan-4-amine;hydrochloride
CID 110204327
N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine
CID 63097957
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine
CID 61386508

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)sulfanylethyl]oxan-4-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)sulfanylethyl]oxan-4-amine (CID 63100220) is N-[2-(4-methoxyphenyl)sulfanylethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)sulfanylethyl]oxan-4-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)sulfanylethyl]oxan-4-amine is COc1ccc(SCCNC2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)sulfanylethyl]oxan-4-amine?
The InChIKey is REECTPBHIUVMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-16-13-2-4-14(5-3-13)18-11-8-15-12-6-9-17-10-7-12/h2-5,12,15H,6-11H2,1H3.
What are the key properties of N-[2-(4-methoxyphenyl)sulfanylethyl]oxan-4-amine?
N-[2-(4-methoxyphenyl)sulfanylethyl]oxan-4-amine has a molecular weight of 267.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)sulfanylethyl]oxan-4-amine is sourced from PubChem (CID 63100220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).