3-thiopyran-2-ylidenepropan-1-amine

C8H11NS — CID 67169075

IUPAC3-thiopyran-2-ylidenepropan-1-amine
SMILESNCCC=C1C=CC=CS1
InChIInChI=1S/C8H11NS/c9-6-3-5-8-4-1-2-7-10-8/h1-2,4-5,7H,3,6,9H2
InChIKeyGHLXDSPUPKYOBA-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.04
Rot. Bonds2

About 3-thiopyran-2-ylidenepropan-1-amine

3-thiopyran-2-ylidenepropan-1-amine (PubChem CID 67169075) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 3-thiopyran-2-ylidenepropan-1-amine.

Molecular Properties

Compound Name3-thiopyran-2-ylidenepropan-1-amine
PubChem CID67169075
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name3-thiopyran-2-ylidenepropan-1-amine
SMILESNCCC=C1C=CC=CS1
InChIInChI=1S/C8H11NS/c9-6-3-5-8-4-1-2-7-10-8/h1-2,4-5,7H,3,6,9H2
InChIKeyGHLXDSPUPKYOBA-UHFFFAOYSA-N
XLogP2.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-thiopyran-2-ylidenepropan-1-amine?
The IUPAC name of 3-thiopyran-2-ylidenepropan-1-amine (CID 67169075) is 3-thiopyran-2-ylidenepropan-1-amine.
What is the SMILES notation for 3-thiopyran-2-ylidenepropan-1-amine?
The canonical SMILES for 3-thiopyran-2-ylidenepropan-1-amine is NCCC=C1C=CC=CS1.
What is the InChIKey of 3-thiopyran-2-ylidenepropan-1-amine?
The InChIKey is GHLXDSPUPKYOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c9-6-3-5-8-4-1-2-7-10-8/h1-2,4-5,7H,3,6,9H2.
What are the key properties of 3-thiopyran-2-ylidenepropan-1-amine?
3-thiopyran-2-ylidenepropan-1-amine has a molecular weight of 153.25 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiopyran-2-ylidenepropan-1-amine is sourced from PubChem (CID 67169075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).