2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine

C9H15NO3S2 — CID 64697179

IUPAC2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine
SMILESCCOC(CN)CS(=O)(=O)c1cccs1
InChIInChI=1S/C9H15NO3S2/c1-2-13-8(6-10)7-15(11,12)9-4-3-5-14-9/h3-5,8H,2,6-7,10H2,1H3
InChIKeyIWYVCCSLEOJZNW-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.89
Rot. Bonds6

About 2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine

2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine (PubChem CID 64697179) has the molecular formula C9H15NO3S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine
PubChem CID64697179
Molecular FormulaC9H15NO3S2
Molecular Weight249.36 g/mol
Exact Mass249.05
IUPAC Name2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine
SMILESCCOC(CN)CS(=O)(=O)c1cccs1
InChIInChI=1S/C9H15NO3S2/c1-2-13-8(6-10)7-15(11,12)9-4-3-5-14-9/h3-5,8H,2,6-7,10H2,1H3
InChIKeyIWYVCCSLEOJZNW-UHFFFAOYSA-N
XLogP0.89
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine
CID 64697562
3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine
CID 64646199
1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64645393
5-thiophen-2-ylsulfonylpentan-2-amine
CID 64644611
2-[2-(bromomethyl)pentylsulfonyl]thiophene
CID 65014082
1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64647191
1-[4-(aminomethyl)phenoxy]-3-thiophen-2-ylsulfonylpropan-2-ol
CID 64698405
1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine
CID 64645996
2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine
CID 64696559
5-thiophen-2-ylsulfonylpentan-1-amine
CID 64697389
N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64646998
1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine
CID 82359917

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine?
The IUPAC name of 2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine (CID 64697179) is 2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine?
The canonical SMILES for 2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine is CCOC(CN)CS(=O)(=O)c1cccs1.
What is the InChIKey of 2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine?
The InChIKey is IWYVCCSLEOJZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S2/c1-2-13-8(6-10)7-15(11,12)9-4-3-5-14-9/h3-5,8H,2,6-7,10H2,1H3.
What are the key properties of 2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine?
2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine is sourced from PubChem (CID 64697179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).