(1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine

C12H13ClN2S — CID 81401866

IUPAC(1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine
SMILESC[C@H](NCc1cc(Cl)cs1)c1ccccn1
InChIInChI=1S/C12H13ClN2S/c1-9(12-4-2-3-5-14-12)15-7-11-6-10(13)8-16-11/h2-6,8-9,15H,7H2,1H3/t9-/m0/s1
InChIKeyVLKQSTQEVCNIKT-VIFPVBQESA-N
MW252.77 g/mol
LogP3.65
Rot. Bonds4

About (1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine

(1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 81401866) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is (1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine
PubChem CID81401866
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name(1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine
SMILESC[C@H](NCc1cc(Cl)cs1)c1ccccn1
InChIInChI=1S/C12H13ClN2S/c1-9(12-4-2-3-5-14-12)15-7-11-6-10(13)8-16-11/h2-6,8-9,15H,7H2,1H3/t9-/m0/s1
InChIKeyVLKQSTQEVCNIKT-VIFPVBQESA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine 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

(1R)-1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]ethanamine
CID 81377663
N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 79420654
(1R)-1-(4-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]ethanamine
CID 81352477
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 79419866
(1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 104868538
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 60664381
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 63280230
1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43181287
(1S)-1-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437978

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine (CID 81401866) is (1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine is C[C@H](NCc1cc(Cl)cs1)c1ccccn1.
What is the InChIKey of (1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is VLKQSTQEVCNIKT-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-9(12-4-2-3-5-14-12)15-7-11-6-10(13)8-16-11/h2-6,8-9,15H,7H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine?
(1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 252.77 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 81401866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).