3,4-dihydro-2H-thiopyran-4-ylmethanamine

C6H11NS — CID 166776001

IUPAC3,4-dihydro-2H-thiopyran-4-ylmethanamine
SMILESNCC1C=CSCC1
InChIInChI=1S/C6H11NS/c7-5-6-1-3-8-4-2-6/h1,3,6H,2,4-5,7H2
InChIKeyNLSZFCLQDONFIF-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.21
Rot. Bonds1

About 3,4-dihydro-2H-thiopyran-4-ylmethanamine

3,4-dihydro-2H-thiopyran-4-ylmethanamine (PubChem CID 166776001) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 3,4-dihydro-2H-thiopyran-4-ylmethanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-thiopyran-4-ylmethanamine
PubChem CID166776001
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name3,4-dihydro-2H-thiopyran-4-ylmethanamine
SMILESNCC1C=CSCC1
InChIInChI=1S/C6H11NS/c7-5-6-1-3-8-4-2-6/h1,3,6H,2,4-5,7H2
InChIKeyNLSZFCLQDONFIF-UHFFFAOYSA-N
XLogP1.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-thiopyran-4-ylmethanamine?
The IUPAC name of 3,4-dihydro-2H-thiopyran-4-ylmethanamine (CID 166776001) is 3,4-dihydro-2H-thiopyran-4-ylmethanamine.
What is the SMILES notation for 3,4-dihydro-2H-thiopyran-4-ylmethanamine?
The canonical SMILES for 3,4-dihydro-2H-thiopyran-4-ylmethanamine is NCC1C=CSCC1.
What is the InChIKey of 3,4-dihydro-2H-thiopyran-4-ylmethanamine?
The InChIKey is NLSZFCLQDONFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c7-5-6-1-3-8-4-2-6/h1,3,6H,2,4-5,7H2.
What are the key properties of 3,4-dihydro-2H-thiopyran-4-ylmethanamine?
3,4-dihydro-2H-thiopyran-4-ylmethanamine has a molecular weight of 129.23 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-thiopyran-4-ylmethanamine is sourced from PubChem (CID 166776001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).