N-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine

C11H19NO3S2 — CID 115848647

IUPACN-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine
SMILESCCNC(CCS(C)(=O)=O)c1cc(OC)cs1
InChIInChI=1S/C11H19NO3S2/c1-4-12-10(5-6-17(3,13)14)11-7-9(15-2)8-16-11/h7-8,10,12H,4-6H2,1-3H3
InChIKeyMDVSEENUELMEOD-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.84
Rot. Bonds7

About N-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine

N-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine (PubChem CID 115848647) has the molecular formula C11H19NO3S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine
PubChem CID115848647
Molecular FormulaC11H19NO3S2
Molecular Weight277.41 g/mol
Exact Mass277.08
IUPAC NameN-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine
SMILESCCNC(CCS(C)(=O)=O)c1cc(OC)cs1
InChIInChI=1S/C11H19NO3S2/c1-4-12-10(5-6-17(3,13)14)11-7-9(15-2)8-16-11/h7-8,10,12H,4-6H2,1-3H3
InChIKeyMDVSEENUELMEOD-UHFFFAOYSA-N
XLogP1.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine
CID 115835766
N-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine
CID 115815103
1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 115780120
N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105013677
N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 81128002
4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine
CID 105054949
2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122653
1-(4-methoxythiophen-2-yl)-N-methylpentan-1-amine
CID 115833083
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 115840276
1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
CID 115859366
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylsulfonylpropan-1-amine
CID 115848347
N-ethyl-3-methylsulfonyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-amine
CID 115848086

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine (CID 115848647) is N-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine is CCNC(CCS(C)(=O)=O)c1cc(OC)cs1.
What is the InChIKey of N-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine?
The InChIKey is MDVSEENUELMEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S2/c1-4-12-10(5-6-17(3,13)14)11-7-9(15-2)8-16-11/h7-8,10,12H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine?
N-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115848647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).