(1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine

C18H25NS2 — CID 81390018

IUPAC(1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESC[C@H](NCc1cc(-c2cccs2)cs1)C1CCCCCC1
InChIInChI=1S/C18H25NS2/c1-14(15-7-4-2-3-5-8-15)19-12-17-11-16(13-21-17)18-9-6-10-20-18/h6,9-11,13-15,19H,2-5,7-8,12H2,1H3/t14-/m0/s1
InChIKeyYXNGTWIRSQLSDM-AWEZNQCLSA-N
MW319.54 g/mol
LogP5.93
Rot. Bonds5

About (1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine

(1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (PubChem CID 81390018) has the molecular formula C18H25NS2 and a molecular weight of 319.54 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
PubChem CID81390018
Molecular FormulaC18H25NS2
Molecular Weight319.54 g/mol
Exact Mass319.14
IUPAC Name(1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESC[C@H](NCc1cc(-c2cccs2)cs1)C1CCCCCC1
InChIInChI=1S/C18H25NS2/c1-14(15-7-4-2-3-5-8-15)19-12-17-11-16(13-21-17)18-9-6-10-20-18/h6,9-11,13-15,19H,2-5,7-8,12H2,1H3/t14-/m0/s1
InChIKeyYXNGTWIRSQLSDM-AWEZNQCLSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.54
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)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

1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 103768976
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507
N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63478526
2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 63450748
2-[(4-thiophen-2-ylthiophen-2-yl)methylamino]propanoic acid
CID 54959776
1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433657
4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
CID 103700932
(1R)-1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81354936
(1S)-1-(4-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81355528
(1R)-1-cyclopentyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81395803
1-(2-bromophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433659

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (CID 81390018) is (1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is C[C@H](NCc1cc(-c2cccs2)cs1)C1CCCCCC1.
What is the InChIKey of (1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The InChIKey is YXNGTWIRSQLSDM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25NS2/c1-14(15-7-4-2-3-5-8-15)19-12-17-11-16(13-21-17)18-9-6-10-20-18/h6,9-11,13-15,19H,2-5,7-8,12H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
(1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine has a molecular weight of 319.54 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 81390018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).