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

C14H17NO2S2 — CID 104991282

IUPACN-methyl-1-(4-methylsulfonylphenyl)-1-(5-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccc(S(C)(=O)=O)cc1)c1csc(C)c1
InChIInChI=1S/C14H17NO2S2/c1-10-8-12(9-18-10)14(15-2)11-4-6-13(7-5-11)19(3,16)17/h4-9,14-15H,1-3H3
InChIKeyFQCYNTDWODIMAS-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.77
Rot. Bonds4

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

N-methyl-1-(4-methylsulfonylphenyl)-1-(5-methylthiophen-3-yl)methanamine (PubChem CID 104991282) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfonylphenyl)-1-(5-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfonylphenyl)-1-(5-methylthiophen-3-yl)methanamine
PubChem CID104991282
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC NameN-methyl-1-(4-methylsulfonylphenyl)-1-(5-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccc(S(C)(=O)=O)cc1)c1csc(C)c1
InChIInChI=1S/C14H17NO2S2/c1-10-8-12(9-18-10)14(15-2)11-4-6-13(7-5-11)19(3,16)17/h4-9,14-15H,1-3H3
InChIKeyFQCYNTDWODIMAS-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 43480214
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 107130126
N-methyl-1-(4-methylsulfonylphenyl)-1-(3-methylthiophen-2-yl)methanamine
CID 55007057
N-methyl-1-(5-methylthiophen-3-yl)-1-quinoxalin-6-ylmethanamine
CID 65104877
1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 55034413
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79692831
1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 65105134
N-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine
CID 115854901
1-(4-chloro-2,5-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 104991309
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 103406327
1-(2-bromo-5-iodophenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 114027094
N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104551

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfonylphenyl)-1-(5-methylthiophen-3-yl)methanamine?
The IUPAC name of N-methyl-1-(4-methylsulfonylphenyl)-1-(5-methylthiophen-3-yl)methanamine (CID 104991282) is N-methyl-1-(4-methylsulfonylphenyl)-1-(5-methylthiophen-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylsulfonylphenyl)-1-(5-methylthiophen-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylsulfonylphenyl)-1-(5-methylthiophen-3-yl)methanamine is CNC(c1ccc(S(C)(=O)=O)cc1)c1csc(C)c1.
What is the InChIKey of N-methyl-1-(4-methylsulfonylphenyl)-1-(5-methylthiophen-3-yl)methanamine?
The InChIKey is FQCYNTDWODIMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-10-8-12(9-18-10)14(15-2)11-4-6-13(7-5-11)19(3,16)17/h4-9,14-15H,1-3H3.
What are the key properties of N-methyl-1-(4-methylsulfonylphenyl)-1-(5-methylthiophen-3-yl)methanamine?
N-methyl-1-(4-methylsulfonylphenyl)-1-(5-methylthiophen-3-yl)methanamine has a molecular weight of 295.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfonylphenyl)-1-(5-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 104991282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).