N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine

C15H23NO3S — CID 103777484

IUPACN-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine
SMILESCOc1cc(C(C)NC2CCSC2)cc(OC)c1OC
InChIInChI=1S/C15H23NO3S/c1-10(16-12-5-6-20-9-12)11-7-13(17-2)15(19-4)14(8-11)18-3/h7-8,10,12,16H,5-6,9H2,1-4H3
InChIKeyBHIXZHOFMAWIQJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.87
Rot. Bonds6

About N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine

N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine (PubChem CID 103777484) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine
PubChem CID103777484
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine
SMILESCOc1cc(C(C)NC2CCSC2)cc(OC)c1OC
InChIInChI=1S/C15H23NO3S/c1-10(16-12-5-6-20-9-12)11-7-13(17-2)15(19-4)14(8-11)18-3/h7-8,10,12,16H,5-6,9H2,1-4H3
InChIKeyBHIXZHOFMAWIQJ-UHFFFAOYSA-N
XLogP2.87
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine
CID 115718210
3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine
CID 115892491
N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine
CID 43674270
N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine
CID 63359921
N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine
CID 81370902
2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine
CID 63278271
2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine
CID 115335774
N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine
CID 103779629
3,4,5-trimethoxy-N-(thiolan-3-ylmethyl)aniline
CID 107131142
N-[(1S)-1-(2-methoxyphenyl)ethyl]thian-3-amine
CID 81397363
N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiolan-3-amine
CID 43223825
1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol
CID 63295210

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine?
The IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine (CID 103777484) is N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine?
The canonical SMILES for N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine is COc1cc(C(C)NC2CCSC2)cc(OC)c1OC.
What is the InChIKey of N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine?
The InChIKey is BHIXZHOFMAWIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-10(16-12-5-6-20-9-12)11-7-13(17-2)15(19-4)14(8-11)18-3/h7-8,10,12,16H,5-6,9H2,1-4H3.
What are the key properties of N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine?
N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine has a molecular weight of 297.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine is sourced from PubChem (CID 103777484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).