N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine

C14H21NOS — CID 63360226

IUPACN-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine
SMILESCSc1ccc(C(C)NC2CCCOC2)cc1
InChIInChI=1S/C14H21NOS/c1-11(15-13-4-3-9-16-10-13)12-5-7-14(17-2)8-6-12/h5-8,11,13,15H,3-4,9-10H2,1-2H3
InChIKeyJNXOTQCGVSKNBD-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.24
Rot. Bonds4

About N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine

N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine (PubChem CID 63360226) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine.

Molecular Properties

Compound NameN-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine
PubChem CID63360226
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC NameN-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine
SMILESCSc1ccc(C(C)NC2CCCOC2)cc1
InChIInChI=1S/C14H21NOS/c1-11(15-13-4-3-9-16-10-13)12-5-7-14(17-2)8-6-12/h5-8,11,13,15H,3-4,9-10H2,1-2H3
InChIKeyJNXOTQCGVSKNBD-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine
CID 43189980
N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine
CID 81345202
4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide
CID 63360384
N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine
CID 63360332
(3R)-N-[1-(furan-3-yl)ethyl]oxan-3-amine
CID 131084239
1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine
CID 61212533
N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 63436798
(4-methylsulfanylphenyl)-(oxan-3-yl)methanol
CID 107136272
N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine
CID 63359921
N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine
CID 63360319
3-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentane-1,3-diamine
CID 79461227
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine?
The IUPAC name of N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine (CID 63360226) is N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine.
What is the SMILES notation for N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine?
The canonical SMILES for N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine is CSc1ccc(C(C)NC2CCCOC2)cc1.
What is the InChIKey of N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine?
The InChIKey is JNXOTQCGVSKNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11(15-13-4-3-9-16-10-13)12-5-7-14(17-2)8-6-12/h5-8,11,13,15H,3-4,9-10H2,1-2H3.
What are the key properties of N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine?
N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine has a molecular weight of 251.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine is sourced from PubChem (CID 63360226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).