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

C11H12ClNS2 — CID 62841664

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCc1ccc(Cl)s1)c1ccsc1
InChIInChI=1S/C11H12ClNS2/c1-8(9-4-5-14-7-9)13-6-10-2-3-11(12)15-10/h2-5,7-8,13H,6H2,1H3
InChIKeySMEAHTIGEWXIDJ-UHFFFAOYSA-N
MW257.81 g/mol
LogP4.31
Rot. Bonds4

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

N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine (PubChem CID 62841664) has the molecular formula C11H12ClNS2 and a molecular weight of 257.81 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
PubChem CID62841664
Molecular FormulaC11H12ClNS2
Molecular Weight257.81 g/mol
Exact Mass257.01
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCc1ccc(Cl)s1)c1ccsc1
InChIInChI=1S/C11H12ClNS2/c1-8(9-4-5-14-7-9)13-6-10-2-3-11(12)15-10/h2-5,7-8,13H,6H2,1H3
InChIKeySMEAHTIGEWXIDJ-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 43179335
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 28564868
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356848
N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62840287
N-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 102835571
N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(diethylaminosulfanyl)phenyl]ethanamine
CID 142506310
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182699
(1R)-1-(3-bromophenyl)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 81382627
N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 43181722
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 28655921
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28683186
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 28653095

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine (CID 62841664) is N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine is CC(NCc1ccc(Cl)s1)c1ccsc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine?
The InChIKey is SMEAHTIGEWXIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNS2/c1-8(9-4-5-14-7-9)13-6-10-2-3-11(12)15-10/h2-5,7-8,13H,6H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine has a molecular weight of 257.81 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 62841664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).