2H-thiopyran-5-ylmethanamine

C6H9NS — CID 54064569

IUPAC2H-thiopyran-5-ylmethanamine
SMILESNCC1=CSCC=C1
InChIInChI=1S/C6H9NS/c7-4-6-2-1-3-8-5-6/h1-2,5H,3-4,7H2
InChIKeyMCAXDDAPTWXQPZ-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.13
Rot. Bonds1

About 2H-thiopyran-5-ylmethanamine

2H-thiopyran-5-ylmethanamine (PubChem CID 54064569) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 2H-thiopyran-5-ylmethanamine.

Molecular Properties

Compound Name2H-thiopyran-5-ylmethanamine
PubChem CID54064569
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name2H-thiopyran-5-ylmethanamine
SMILESNCC1=CSCC=C1
InChIInChI=1S/C6H9NS/c7-4-6-2-1-3-8-5-6/h1-2,5H,3-4,7H2
InChIKeyMCAXDDAPTWXQPZ-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-thiopyran-5-ylmethanamine?
The IUPAC name of 2H-thiopyran-5-ylmethanamine (CID 54064569) is 2H-thiopyran-5-ylmethanamine.
What is the SMILES notation for 2H-thiopyran-5-ylmethanamine?
The canonical SMILES for 2H-thiopyran-5-ylmethanamine is NCC1=CSCC=C1.
What is the InChIKey of 2H-thiopyran-5-ylmethanamine?
The InChIKey is MCAXDDAPTWXQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c7-4-6-2-1-3-8-5-6/h1-2,5H,3-4,7H2.
What are the key properties of 2H-thiopyran-5-ylmethanamine?
2H-thiopyran-5-ylmethanamine has a molecular weight of 127.21 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thiopyran-5-ylmethanamine is sourced from PubChem (CID 54064569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).