4H-thiopyran-2-ylmethanamine

C6H9NS — CID 143070497

IUPAC4H-thiopyran-2-ylmethanamine
SMILESNCC1=CCC=CS1
InChIInChI=1S/C6H9NS/c7-5-6-3-1-2-4-8-6/h2-4H,1,5,7H2
InChIKeyQJNULXXDNKHAAE-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.48
Rot. Bonds1

About 4H-thiopyran-2-ylmethanamine

4H-thiopyran-2-ylmethanamine (PubChem CID 143070497) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 4H-thiopyran-2-ylmethanamine.

Molecular Properties

Compound Name4H-thiopyran-2-ylmethanamine
PubChem CID143070497
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name4H-thiopyran-2-ylmethanamine
SMILESNCC1=CCC=CS1
InChIInChI=1S/C6H9NS/c7-5-6-3-1-2-4-8-6/h2-4H,1,5,7H2
InChIKeyQJNULXXDNKHAAE-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-thiopyran-2-ylmethanamine?
The IUPAC name of 4H-thiopyran-2-ylmethanamine (CID 143070497) is 4H-thiopyran-2-ylmethanamine.
What is the SMILES notation for 4H-thiopyran-2-ylmethanamine?
The canonical SMILES for 4H-thiopyran-2-ylmethanamine is NCC1=CCC=CS1.
What is the InChIKey of 4H-thiopyran-2-ylmethanamine?
The InChIKey is QJNULXXDNKHAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c7-5-6-3-1-2-4-8-6/h2-4H,1,5,7H2.
What are the key properties of 4H-thiopyran-2-ylmethanamine?
4H-thiopyran-2-ylmethanamine has a molecular weight of 127.21 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-thiopyran-2-ylmethanamine is sourced from PubChem (CID 143070497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).