1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine

C11H19NO2S2 — CID 104519048

IUPAC1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine
SMILESCNC(c1sc(C)cc1C)C(C)S(C)(=O)=O
InChIInChI=1S/C11H19NO2S2/c1-7-6-8(2)15-11(7)10(12-4)9(3)16(5,13)14/h6,9-10,12H,1-5H3
InChIKeyFQDUKULCAUUXCG-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.06
Rot. Bonds4

About 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine

1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 104519048) has the molecular formula C11H19NO2S2 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine
PubChem CID104519048
Molecular FormulaC11H19NO2S2
Molecular Weight261.41 g/mol
Exact Mass261.09
IUPAC Name1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine
SMILESCNC(c1sc(C)cc1C)C(C)S(C)(=O)=O
InChIInChI=1S/C11H19NO2S2/c1-7-6-8(2)15-11(7)10(12-4)9(3)16(5,13)14/h6,9-10,12H,1-5H3
InChIKeyFQDUKULCAUUXCG-UHFFFAOYSA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 104518936
1-(5-bromo-2-fluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 105011894
1-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 104518513
1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 81157389
1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 81155754
N-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine
CID 104518445
N-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 105019058
1-(2-methoxypyrimidin-5-yl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 112747697
[1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine
CID 105292563
1-(2,3-difluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 115861998
2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 104991213
1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 104518492

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine (CID 104519048) is 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine is CNC(c1sc(C)cc1C)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is FQDUKULCAUUXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S2/c1-7-6-8(2)15-11(7)10(12-4)9(3)16(5,13)14/h6,9-10,12H,1-5H3.
What are the key properties of 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine?
1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 104519048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).