N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine

C14H21NOS — CID 81370902

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine
SMILESCOc1ccc([C@@H](C)NC2CCSCC2)cc1
InChIInChI=1S/C14H21NOS/c1-11(15-13-7-9-17-10-8-13)12-3-5-14(16-2)6-4-12/h3-6,11,13,15H,7-10H2,1-2H3/t11-/m1/s1
InChIKeyALGLUHCLGXKRST-LLVKDONJSA-N
MW251.39 g/mol
LogP3.24
Rot. Bonds4

About N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine

N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine (PubChem CID 81370902) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine
PubChem CID81370902
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine
SMILESCOc1ccc([C@@H](C)NC2CCSCC2)cc1
InChIInChI=1S/C14H21NOS/c1-11(15-13-7-9-17-10-8-13)12-3-5-14(16-2)6-4-12/h3-6,11,13,15H,7-10H2,1-2H3/t11-/m1/s1
InChIKeyALGLUHCLGXKRST-LLVKDONJSA-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 ≤ 500251.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
N-[1-(4-ethoxyphenyl)ethyl]thian-4-amine
CID 43233377
4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 55062721
N-[1-(3-methoxyphenyl)ethyl]thian-4-amine
CID 54863730
N-[(1S)-1-(4-bromophenyl)ethyl]thian-4-amine
CID 81359779
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81370708
N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
CID 66244684
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
N-[1-(4-pyridin-4-ylphenyl)ethyl]thian-4-amine
CID 75428536
3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 106821544
N-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 79741892
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine (CID 81370902) is N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine is COc1ccc([C@@H](C)NC2CCSCC2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine?
The InChIKey is ALGLUHCLGXKRST-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11(15-13-7-9-17-10-8-13)12-3-5-14(16-2)6-4-12/h3-6,11,13,15H,7-10H2,1-2H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine?
N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine has a molecular weight of 251.39 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-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine is sourced from PubChem (CID 81370902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).