1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine

C13H22N2O3S2 — CID 75471365

IUPAC1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine
SMILESCc1ccsc1C(C)NCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H22N2O3S2/c1-11-3-9-19-13(11)12(2)14-4-10-20(16,17)15-5-7-18-8-6-15/h3,9,12,14H,4-8,10H2,1-2H3
InChIKeyKDRJICGWCADXME-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.37
Rot. Bonds6

About 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine

1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine (PubChem CID 75471365) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine
PubChem CID75471365
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine
SMILESCc1ccsc1C(C)NCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H22N2O3S2/c1-11-3-9-19-13(11)12(2)14-4-10-20(16,17)15-5-7-18-8-6-15/h3,9,12,14H,4-8,10H2,1-2H3
InChIKeyKDRJICGWCADXME-UHFFFAOYSA-N
XLogP1.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine (CID 75471365) is 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine is Cc1ccsc1C(C)NCCS(=O)(=O)N1CCOCC1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine?
The InChIKey is KDRJICGWCADXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-11-3-9-19-13(11)12(2)14-4-10-20(16,17)15-5-7-18-8-6-15/h3,9,12,14H,4-8,10H2,1-2H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine?
1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine has a molecular weight of 318.46 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine is sourced from PubChem (CID 75471365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).