2-(3-methoxyphenyl)sulfanylethanamine

C9H13NOS — CID 24697918

IUPAC2-(3-methoxyphenyl)sulfanylethanamine
SMILESCOc1cccc(SCCN)c1
InChIInChI=1S/C9H13NOS/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-4,7H,5-6,10H2,1H3
InChIKeyUSPPRAOYKHROEO-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.75
Rot. Bonds4

About 2-(3-methoxyphenyl)sulfanylethanamine

2-(3-methoxyphenyl)sulfanylethanamine (PubChem CID 24697918) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanylethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanylethanamine
PubChem CID24697918
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-(3-methoxyphenyl)sulfanylethanamine
SMILESCOc1cccc(SCCN)c1
InChIInChI=1S/C9H13NOS/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-4,7H,5-6,10H2,1H3
InChIKeyUSPPRAOYKHROEO-UHFFFAOYSA-N
XLogP1.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 15885
CID 15885
CID 281182
CID 281182
CID 42624286
CID 42624286
CID 13479555
CID 13479555
CID 46935149
CID 46935149
CID 49865205
CID 49865205
CID 49865206
CID 49865206
CID 49865265
CID 49865265
CID 49865267
CID 49865267
CID 49865322
CID 49865322
CID 49865323
CID 49865323
CID 49865324
CID 49865324

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanylethanamine?
The IUPAC name of 2-(3-methoxyphenyl)sulfanylethanamine (CID 24697918) is 2-(3-methoxyphenyl)sulfanylethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanylethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanylethanamine is COc1cccc(SCCN)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanylethanamine?
The InChIKey is USPPRAOYKHROEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-4,7H,5-6,10H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)sulfanylethanamine?
2-(3-methoxyphenyl)sulfanylethanamine has a molecular weight of 183.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanylethanamine is sourced from PubChem (CID 24697918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).