N-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine

C14H17NS2 — CID 104991576

IUPACN-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccc(SC)cc1)c1csc(C)c1
InChIInChI=1S/C14H17NS2/c1-10-8-12(9-17-10)14(15-2)11-4-6-13(16-3)7-5-11/h4-9,14-15H,1-3H3
InChIKeyOTHXQXDIQIOWSB-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.09
Rot. Bonds4

About N-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine

N-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine (PubChem CID 104991576) has the molecular formula C14H17NS2 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine
PubChem CID104991576
Molecular FormulaC14H17NS2
Molecular Weight263.43 g/mol
Exact Mass263.08
IUPAC NameN-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccc(SC)cc1)c1csc(C)c1
InChIInChI=1S/C14H17NS2/c1-10-8-12(9-17-10)14(15-2)11-4-6-13(16-3)7-5-11/h4-9,14-15H,1-3H3
InChIKeyOTHXQXDIQIOWSB-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylsulfonylphenyl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991282
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 104991349
N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine
CID 115790405
4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline
CID 116952045
1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215702
N-methyl-1-(5-methylthiophen-3-yl)-1-quinoxalin-6-ylmethanamine
CID 65104877
N-methyl-1-(5-methylthiophen-2-yl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991248
1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 115482274
1-(4-chloro-2,5-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 104991309
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79692831
N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine
CID 79212501
1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 65105134

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine?
The IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine (CID 104991576) is N-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine is CNC(c1ccc(SC)cc1)c1csc(C)c1.
What is the InChIKey of N-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine?
The InChIKey is OTHXQXDIQIOWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS2/c1-10-8-12(9-17-10)14(15-2)11-4-6-13(16-3)7-5-11/h4-9,14-15H,1-3H3.
What are the key properties of N-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine?
N-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine has a molecular weight of 263.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 104991576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).