(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine

C12H13ClN2S — CID 28655921

IUPAC(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
SMILESC[C@H](NCc1ccc(Cl)s1)c1cccnc1
InChIInChI=1S/C12H13ClN2S/c1-9(10-3-2-6-14-7-10)15-8-11-4-5-12(13)16-11/h2-7,9,15H,8H2,1H3/t9-/m0/s1
InChIKeyBEIGWTMHDKOMQU-VIFPVBQESA-N
MW252.77 g/mol
LogP3.65
Rot. Bonds4

About (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine

(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 28655921) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
PubChem CID28655921
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
SMILESC[C@H](NCc1ccc(Cl)s1)c1cccnc1
InChIInChI=1S/C12H13ClN2S/c1-9(10-3-2-6-14-7-10)15-8-11-4-5-12(13)16-11/h2-7,9,15H,8H2,1H3/t9-/m0/s1
InChIKeyBEIGWTMHDKOMQU-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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 43181722
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 28564868
N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 43179335
(1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951056
5-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]thiophene-2-carbonitrile
CID 113250098
2-[5-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]thiophen-2-yl]acetic acid
CID 82888377
(1R)-1-(3-bromophenyl)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 81382627
(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951148
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28683186
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182699
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356848
(1R)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 102836873

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine (CID 28655921) is (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine is C[C@H](NCc1ccc(Cl)s1)c1cccnc1.
What is the InChIKey of (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is BEIGWTMHDKOMQU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-9(10-3-2-6-14-7-10)15-8-11-4-5-12(13)16-11/h2-7,9,15H,8H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine?
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-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-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 28655921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).