2-(2-methylfuran-3-yl)sulfanylethanamine

C7H11NOS — CID 55262856

IUPAC2-(2-methylfuran-3-yl)sulfanylethanamine
SMILESCc1occc1SCCN
InChIInChI=1S/C7H11NOS/c1-6-7(2-4-9-6)10-5-3-8/h2,4H,3,5,8H2,1H3
InChIKeyYTYQKABCXMFGRQ-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.64
Rot. Bonds3

About 2-(2-methylfuran-3-yl)sulfanylethanamine

2-(2-methylfuran-3-yl)sulfanylethanamine (PubChem CID 55262856) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)sulfanylethanamine.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)sulfanylethanamine
PubChem CID55262856
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2-(2-methylfuran-3-yl)sulfanylethanamine
SMILESCc1occc1SCCN
InChIInChI=1S/C7H11NOS/c1-6-7(2-4-9-6)10-5-3-8/h2,4H,3,5,8H2,1H3
InChIKeyYTYQKABCXMFGRQ-UHFFFAOYSA-N
XLogP1.64
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)sulfanylethanamine?
The IUPAC name of 2-(2-methylfuran-3-yl)sulfanylethanamine (CID 55262856) is 2-(2-methylfuran-3-yl)sulfanylethanamine.
What is the SMILES notation for 2-(2-methylfuran-3-yl)sulfanylethanamine?
The canonical SMILES for 2-(2-methylfuran-3-yl)sulfanylethanamine is Cc1occc1SCCN.
What is the InChIKey of 2-(2-methylfuran-3-yl)sulfanylethanamine?
The InChIKey is YTYQKABCXMFGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-6-7(2-4-9-6)10-5-3-8/h2,4H,3,5,8H2,1H3.
What are the key properties of 2-(2-methylfuran-3-yl)sulfanylethanamine?
2-(2-methylfuran-3-yl)sulfanylethanamine has a molecular weight of 157.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)sulfanylethanamine is sourced from PubChem (CID 55262856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).