2-(10-oxo-9H-thioxanthen-3-yl)propan-2-amine

C16H17NOS — CID 70447113

IUPAC2-(10-oxo-9H-thioxanthen-3-yl)propan-2-amine
SMILESCC(C)(N)c1ccc2c(c1)S(=O)c1ccccc1C2
InChIInChI=1S/C16H17NOS/c1-16(2,17)13-8-7-12-9-11-5-3-4-6-14(11)19(18)15(12)10-13/h3-8,10H,9,17H2,1-2H3
InChIKeyCNYFYJDXCATAGQ-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.95
Rot. Bonds1

About 2-(10-oxo-9H-thioxanthen-3-yl)propan-2-amine

2-(10-oxo-9H-thioxanthen-3-yl)propan-2-amine (PubChem CID 70447113) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-(10-oxo-9H-thioxanthen-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(10-oxo-9H-thioxanthen-3-yl)propan-2-amine
PubChem CID70447113
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name2-(10-oxo-9H-thioxanthen-3-yl)propan-2-amine
SMILESCC(C)(N)c1ccc2c(c1)S(=O)c1ccccc1C2
InChIInChI=1S/C16H17NOS/c1-16(2,17)13-8-7-12-9-11-5-3-4-6-14(11)19(18)15(12)10-13/h3-8,10H,9,17H2,1-2H3
InChIKeyCNYFYJDXCATAGQ-UHFFFAOYSA-N
XLogP2.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(10-oxo-9H-thioxanthen-3-yl)propan-2-amine?
The IUPAC name of 2-(10-oxo-9H-thioxanthen-3-yl)propan-2-amine (CID 70447113) is 2-(10-oxo-9H-thioxanthen-3-yl)propan-2-amine.
What is the SMILES notation for 2-(10-oxo-9H-thioxanthen-3-yl)propan-2-amine?
The canonical SMILES for 2-(10-oxo-9H-thioxanthen-3-yl)propan-2-amine is CC(C)(N)c1ccc2c(c1)S(=O)c1ccccc1C2.
What is the InChIKey of 2-(10-oxo-9H-thioxanthen-3-yl)propan-2-amine?
The InChIKey is CNYFYJDXCATAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-16(2,17)13-8-7-12-9-11-5-3-4-6-14(11)19(18)15(12)10-13/h3-8,10H,9,17H2,1-2H3.
What are the key properties of 2-(10-oxo-9H-thioxanthen-3-yl)propan-2-amine?
2-(10-oxo-9H-thioxanthen-3-yl)propan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-oxo-9H-thioxanthen-3-yl)propan-2-amine is sourced from PubChem (CID 70447113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).