1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine

C14H16ClNS2 — CID 80528884

IUPAC1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
SMILESCNC(c1cc2c(s1)CCCC2)c1sccc1Cl
InChIInChI=1S/C14H16ClNS2/c1-16-13(14-10(15)6-7-17-14)12-8-9-4-2-3-5-11(9)18-12/h6-8,13,16H,2-5H2,1H3
InChIKeyMHFYSIUTVABUCX-UHFFFAOYSA-N
MW297.88 g/mol
LogP4.65
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine

1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine (PubChem CID 80528884) has the molecular formula C14H16ClNS2 and a molecular weight of 297.88 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
PubChem CID80528884
Molecular FormulaC14H16ClNS2
Molecular Weight297.88 g/mol
Exact Mass297.04
IUPAC Name1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
SMILESCNC(c1cc2c(s1)CCCC2)c1sccc1Cl
InChIInChI=1S/C14H16ClNS2/c1-16-13(14-10(15)6-7-17-14)12-8-9-4-2-3-5-11(9)18-12/h6-8,13,16H,2-5H2,1H3
InChIKeyMHFYSIUTVABUCX-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.88
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine with MolForge

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Related Compounds

1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 43485370
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-1-thiophen-3-ylmethanamine
CID 104988236
1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 65279137
1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 80528883
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-(furan-3-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115855651
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 80533140
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(2,4,6-trifluorophenyl)methanamine
CID 43483141
1-(cyclopenten-1-yl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 62078344
1-(2-methoxyphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115793274
1-(cyclohepten-1-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 62078546

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine (CID 80528884) is 1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine is CNC(c1cc2c(s1)CCCC2)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
The InChIKey is MHFYSIUTVABUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS2/c1-16-13(14-10(15)6-7-17-14)12-8-9-4-2-3-5-11(9)18-12/h6-8,13,16H,2-5H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine has a molecular weight of 297.88 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 80528884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).