1,1,1-trimethyl-5,6,7,8-tetrahydrothiopyrano[3,2-c]pyridine

C11H19NS — CID 137395678

IUPAC1,1,1-trimethyl-5,6,7,8-tetrahydrothiopyrano[3,2-c]pyridine
SMILESCS1(C)(C)=C2CCNCC2=CC=C1
InChIInChI=1S/C11H19NS/c1-13(2,3)8-4-5-10-9-12-7-6-11(10)13/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyCDEGVEIDORLYGI-UHFFFAOYSA-N
MW197.35 g/mol
LogP1.84
Rot. Bonds

About 1,1,1-trimethyl-5,6,7,8-tetrahydrothiopyrano[3,2-c]pyridine

1,1,1-trimethyl-5,6,7,8-tetrahydrothiopyrano[3,2-c]pyridine (PubChem CID 137395678) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 1,1,1-trimethyl-5,6,7,8-tetrahydrothiopyrano[3,2-c]pyridine.

Molecular Properties

Compound Name1,1,1-trimethyl-5,6,7,8-tetrahydrothiopyrano[3,2-c]pyridine
PubChem CID137395678
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name1,1,1-trimethyl-5,6,7,8-tetrahydrothiopyrano[3,2-c]pyridine
SMILESCS1(C)(C)=C2CCNCC2=CC=C1
InChIInChI=1S/C11H19NS/c1-13(2,3)8-4-5-10-9-12-7-6-11(10)13/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyCDEGVEIDORLYGI-UHFFFAOYSA-N
XLogP1.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trimethyl-5,6,7,8-tetrahydrothiopyrano[3,2-c]pyridine?
The IUPAC name of 1,1,1-trimethyl-5,6,7,8-tetrahydrothiopyrano[3,2-c]pyridine (CID 137395678) is 1,1,1-trimethyl-5,6,7,8-tetrahydrothiopyrano[3,2-c]pyridine.
What is the SMILES notation for 1,1,1-trimethyl-5,6,7,8-tetrahydrothiopyrano[3,2-c]pyridine?
The canonical SMILES for 1,1,1-trimethyl-5,6,7,8-tetrahydrothiopyrano[3,2-c]pyridine is CS1(C)(C)=C2CCNCC2=CC=C1.
What is the InChIKey of 1,1,1-trimethyl-5,6,7,8-tetrahydrothiopyrano[3,2-c]pyridine?
The InChIKey is CDEGVEIDORLYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-13(2,3)8-4-5-10-9-12-7-6-11(10)13/h4-5,8,12H,6-7,9H2,1-3H3.
What are the key properties of 1,1,1-trimethyl-5,6,7,8-tetrahydrothiopyrano[3,2-c]pyridine?
1,1,1-trimethyl-5,6,7,8-tetrahydrothiopyrano[3,2-c]pyridine has a molecular weight of 197.35 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trimethyl-5,6,7,8-tetrahydrothiopyrano[3,2-c]pyridine is sourced from PubChem (CID 137395678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).