N-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine

C16H23NS — CID 114097372

IUPACN-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
SMILESCCNC(c1csc(C)c1)C1C2C3CCC(C3)C21
InChIInChI=1S/C16H23NS/c1-3-17-16(12-6-9(2)18-8-12)15-13-10-4-5-11(7-10)14(13)15/h6,8,10-11,13-17H,3-5,7H2,1-2H3
InChIKeyNWXMHBJOCKGCTC-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.00
Rot. Bonds4

About N-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine

N-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine (PubChem CID 114097372) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is N-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
PubChem CID114097372
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC NameN-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
SMILESCCNC(c1csc(C)c1)C1C2C3CCC(C3)C21
InChIInChI=1S/C16H23NS/c1-3-17-16(12-6-9(2)18-8-12)15-13-10-4-5-11(7-10)14(13)15/h6,8,10-11,13-17H,3-5,7H2,1-2H3
InChIKeyNWXMHBJOCKGCTC-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine 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-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105155633
N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine
CID 65330421
N-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 114241957
N-[1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-3-yl)methyl]ethanamine
CID 79974081
N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 80609279
N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107189268
N-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
CID 114097404
N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
CID 114097362
2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine
CID 116723604
N-ethyl-3-methyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 65104847
N-ethyl-4-(5-methylthiophen-3-yl)pentan-2-amine
CID 65102175
[7-bicyclo[4.1.0]heptanyl-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313323

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine?
The IUPAC name of N-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine (CID 114097372) is N-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine?
The canonical SMILES for N-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine is CCNC(c1csc(C)c1)C1C2C3CCC(C3)C21.
What is the InChIKey of N-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine?
The InChIKey is NWXMHBJOCKGCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-3-17-16(12-6-9(2)18-8-12)15-13-10-4-5-11(7-10)14(13)15/h6,8,10-11,13-17H,3-5,7H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine?
N-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine has a molecular weight of 261.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine is sourced from PubChem (CID 114097372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).