3-[(5-ethylthiophen-2-yl)methylsulfinyl]propan-1-amine

C10H17NOS2 — CID 81188028

IUPAC3-[(5-ethylthiophen-2-yl)methylsulfinyl]propan-1-amine
SMILESCCc1ccc(CS(=O)CCCN)s1
InChIInChI=1S/C10H17NOS2/c1-2-9-4-5-10(13-9)8-14(12)7-3-6-11/h4-5H,2-3,6-8,11H2,1H3
InChIKeyOQZOZCCVACPZQM-UHFFFAOYSA-N
MW231.39 g/mol
LogP1.91
Rot. Bonds6

About 3-[(5-ethylthiophen-2-yl)methylsulfinyl]propan-1-amine

3-[(5-ethylthiophen-2-yl)methylsulfinyl]propan-1-amine (PubChem CID 81188028) has the molecular formula C10H17NOS2 and a molecular weight of 231.39 g/mol. Its IUPAC name is 3-[(5-ethylthiophen-2-yl)methylsulfinyl]propan-1-amine.

Molecular Properties

Compound Name3-[(5-ethylthiophen-2-yl)methylsulfinyl]propan-1-amine
PubChem CID81188028
Molecular FormulaC10H17NOS2
Molecular Weight231.39 g/mol
Exact Mass231.08
IUPAC Name3-[(5-ethylthiophen-2-yl)methylsulfinyl]propan-1-amine
SMILESCCc1ccc(CS(=O)CCCN)s1
InChIInChI=1S/C10H17NOS2/c1-2-9-4-5-10(13-9)8-14(12)7-3-6-11/h4-5H,2-3,6-8,11H2,1H3
InChIKeyOQZOZCCVACPZQM-UHFFFAOYSA-N
XLogP1.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylthiophen-2-yl)methylsulfinyl]propan-1-amine?
The IUPAC name of 3-[(5-ethylthiophen-2-yl)methylsulfinyl]propan-1-amine (CID 81188028) is 3-[(5-ethylthiophen-2-yl)methylsulfinyl]propan-1-amine.
What is the SMILES notation for 3-[(5-ethylthiophen-2-yl)methylsulfinyl]propan-1-amine?
The canonical SMILES for 3-[(5-ethylthiophen-2-yl)methylsulfinyl]propan-1-amine is CCc1ccc(CS(=O)CCCN)s1.
What is the InChIKey of 3-[(5-ethylthiophen-2-yl)methylsulfinyl]propan-1-amine?
The InChIKey is OQZOZCCVACPZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS2/c1-2-9-4-5-10(13-9)8-14(12)7-3-6-11/h4-5H,2-3,6-8,11H2,1H3.
What are the key properties of 3-[(5-ethylthiophen-2-yl)methylsulfinyl]propan-1-amine?
3-[(5-ethylthiophen-2-yl)methylsulfinyl]propan-1-amine has a molecular weight of 231.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylthiophen-2-yl)methylsulfinyl]propan-1-amine is sourced from PubChem (CID 81188028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).