1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine

C13H14ClNS2 — CID 80529098

IUPAC1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
SMILESCNC(c1ccccc1SC)c1sccc1Cl
InChIInChI=1S/C13H14ClNS2/c1-15-12(13-10(14)7-8-17-13)9-5-3-4-6-11(9)16-2/h3-8,12,15H,1-2H3
InChIKeySWDDREOUFRMVJN-UHFFFAOYSA-N
MW283.85 g/mol
LogP4.43
Rot. Bonds4

About 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine

1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine (PubChem CID 80529098) has the molecular formula C13H14ClNS2 and a molecular weight of 283.85 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
PubChem CID80529098
Molecular FormulaC13H14ClNS2
Molecular Weight283.85 g/mol
Exact Mass283.03
IUPAC Name1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
SMILESCNC(c1ccccc1SC)c1sccc1Cl
InChIInChI=1S/C13H14ClNS2/c1-15-12(13-10(14)7-8-17-13)9-5-3-4-6-11(9)16-2/h3-8,12,15H,1-2H3
InChIKeySWDDREOUFRMVJN-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 80528883
1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 105035225
1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79215705
1-(3-chlorothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-N-methylmethanamine
CID 80529274
[(2-methylsulfanylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322402
1-(5-bromo-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 80529266
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 80644377
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 80528928
1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049025
1-(3-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102757874
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 80644609
1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 103405291

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine (CID 80529098) is 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine is CNC(c1ccccc1SC)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
The InChIKey is SWDDREOUFRMVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS2/c1-15-12(13-10(14)7-8-17-13)9-5-3-4-6-11(9)16-2/h3-8,12,15H,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine has a molecular weight of 283.85 g/mol, XLogP of 4.43, 4 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-(2-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 80529098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).