N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine

C13H23NO2S2 — CID 75515782

IUPACN-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
SMILESCCc1sc(C(C)NC(C)CS(C)(=O)=O)cc1C
InChIInChI=1S/C13H23NO2S2/c1-6-12-9(2)7-13(17-12)11(4)14-10(3)8-18(5,15)16/h7,10-11,14H,6,8H2,1-5H3
InChIKeyVHZVODPBWVGMGD-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.70
Rot. Bonds6

About N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine

N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine (PubChem CID 75515782) has the molecular formula C13H23NO2S2 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
PubChem CID75515782
Molecular FormulaC13H23NO2S2
Molecular Weight289.47 g/mol
Exact Mass289.12
IUPAC NameN-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
SMILESCCc1sc(C(C)NC(C)CS(C)(=O)=O)cc1C
InChIInChI=1S/C13H23NO2S2/c1-6-12-9(2)7-13(17-12)11(4)14-10(3)8-18(5,15)16/h7,10-11,14H,6,8H2,1-5H3
InChIKeyVHZVODPBWVGMGD-UHFFFAOYSA-N
XLogP2.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine (CID 75515782) is N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine is CCc1sc(C(C)NC(C)CS(C)(=O)=O)cc1C.
What is the InChIKey of N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is VHZVODPBWVGMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S2/c1-6-12-9(2)7-13(17-12)11(4)14-10(3)8-18(5,15)16/h7,10-11,14H,6,8H2,1-5H3.
What are the key properties of N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine?
N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 75515782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).