N-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine

C15H16ClNS2 — CID 107361920

IUPACN-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1sccc1Cl)C1Cc2ccccc2S1
InChIInChI=1S/C15H16ClNS2/c1-2-17-14(15-11(16)7-8-18-15)13-9-10-5-3-4-6-12(10)19-13/h3-8,13-14,17H,2,9H2,1H3
InChIKeyUSHSWYXUXUJBID-UHFFFAOYSA-N
MW309.89 g/mol
LogP4.77
Rot. Bonds4

About N-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine

N-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine (PubChem CID 107361920) has the molecular formula C15H16ClNS2 and a molecular weight of 309.89 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine
PubChem CID107361920
Molecular FormulaC15H16ClNS2
Molecular Weight309.89 g/mol
Exact Mass309.04
IUPAC NameN-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1sccc1Cl)C1Cc2ccccc2S1
InChIInChI=1S/C15H16ClNS2/c1-2-17-14(15-11(16)7-8-18-15)13-9-10-5-3-4-6-12(10)19-13/h3-8,13-14,17H,2,9H2,1H3
InChIKeyUSHSWYXUXUJBID-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.89
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine
CID 105094696
N-[2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methyl]ethanamine
CID 105088110
N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine
CID 107360038
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine
CID 105078795
N-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102652995
N-[2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylphenyl)methyl]ethanamine
CID 105140323
N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 80529262
N-[2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methyl]ethanamine
CID 105098407
N-[2,3-dihydro-1-benzothiophen-2-yl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105170008
1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine
CID 105168564
N-[(4-chlorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 105076227
N-[(3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 106647961

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine (CID 107361920) is N-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine is CCNC(c1sccc1Cl)C1Cc2ccccc2S1.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine?
The InChIKey is USHSWYXUXUJBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS2/c1-2-17-14(15-11(16)7-8-18-15)13-9-10-5-3-4-6-12(10)19-13/h3-8,13-14,17H,2,9H2,1H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine?
N-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine has a molecular weight of 309.89 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 107361920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).