1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine

C11H19NO2S2 — CID 115848297

IUPAC1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
SMILESCCc1ccsc1C(CCS(C)(=O)=O)NC
InChIInChI=1S/C11H19NO2S2/c1-4-9-5-7-15-11(9)10(12-2)6-8-16(3,13)14/h5,7,10,12H,4,6,8H2,1-3H3
InChIKeyGIHLQYXJVFHNTE-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.01
Rot. Bonds6

About 1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine

1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine (PubChem CID 115848297) has the molecular formula C11H19NO2S2 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
PubChem CID115848297
Molecular FormulaC11H19NO2S2
Molecular Weight261.41 g/mol
Exact Mass261.09
IUPAC Name1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
SMILESCCc1ccsc1C(CCS(C)(=O)=O)NC
InChIInChI=1S/C11H19NO2S2/c1-4-9-5-7-15-11(9)10(12-2)6-8-16(3,13)14/h5,7,10,12H,4,6,8H2,1-3H3
InChIKeyGIHLQYXJVFHNTE-UHFFFAOYSA-N
XLogP2.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848103
1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine
CID 115837220
1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine
CID 115849879
1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine
CID 115782273
[4-ethylsulfonyl-1-(3-ethylthiophen-2-yl)butyl]hydrazine
CID 105310812
2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine
CID 105013834
1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030584
N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
CID 114979794
2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 115787080
4-ethylsulfonyl-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine
CID 115865302
N-ethyl-1-(3-ethylthiophen-2-yl)-2-methylpentan-1-amine
CID 107893684
2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 105037791

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine (CID 115848297) is 1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine is CCc1ccsc1C(CCS(C)(=O)=O)NC.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine?
The InChIKey is GIHLQYXJVFHNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S2/c1-4-9-5-7-15-11(9)10(12-2)6-8-16(3,13)14/h5,7,10,12H,4,6,8H2,1-3H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine?
1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115848297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).