1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine

C13H14ClNS2 — CID 43485370

IUPAC1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)s1)c1cc2c(s1)CCC2
InChIInChI=1S/C13H14ClNS2/c1-15-13(10-5-6-12(14)17-10)11-7-8-3-2-4-9(8)16-11/h5-7,13,15H,2-4H2,1H3
InChIKeyJKAXXFLWXDJVNQ-UHFFFAOYSA-N
MW283.85 g/mol
LogP4.26
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine

1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine (PubChem CID 43485370) has the molecular formula C13H14ClNS2 and a molecular weight of 283.85 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
PubChem CID43485370
Molecular FormulaC13H14ClNS2
Molecular Weight283.85 g/mol
Exact Mass283.03
IUPAC Name1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)s1)c1cc2c(s1)CCC2
InChIInChI=1S/C13H14ClNS2/c1-15-13(10-5-6-12(14)17-10)11-7-8-3-2-4-9(8)16-11/h5-7,13,15H,2-4H2,1H3
InChIKeyJKAXXFLWXDJVNQ-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine with MolForge

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Launch Full Analysis

Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 102828194
1-(2,5-dichlorothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 43486730
1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 80528884
2-[bromo-(5-chlorothiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene
CID 63441386
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-1-thiophen-3-ylmethanamine
CID 104988236
1-(5-chloro-2-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 104545915
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 80533140
1-(cyclohepten-1-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 62078546
1-(2,5-dibromothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 43486870
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853789
1-(furan-3-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115855651
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033026

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine (CID 43485370) is 1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine is CNC(c1ccc(Cl)s1)c1cc2c(s1)CCC2.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine?
The InChIKey is JKAXXFLWXDJVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS2/c1-15-13(10-5-6-12(14)17-10)11-7-8-3-2-4-9(8)16-11/h5-7,13,15H,2-4H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine?
1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine has a molecular weight of 283.85 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 43485370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).