6-butyl-5H-thiopyrano[2,3-c]pyrrole

C11H15NS — CID 151071208

IUPAC6-butyl-5H-thiopyrano[2,3-c]pyrrole
SMILESCCCCN1C=C2SC=CC=C2C1
InChIInChI=1S/C11H15NS/c1-2-3-6-12-8-10-5-4-7-13-11(10)9-12/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyMIEAZONEFGHRGS-UHFFFAOYSA-N
MW193.31 g/mol
LogP3.13
Rot. Bonds3

About 6-butyl-5H-thiopyrano[2,3-c]pyrrole

6-butyl-5H-thiopyrano[2,3-c]pyrrole (PubChem CID 151071208) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 6-butyl-5H-thiopyrano[2,3-c]pyrrole.

Molecular Properties

Compound Name6-butyl-5H-thiopyrano[2,3-c]pyrrole
PubChem CID151071208
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name6-butyl-5H-thiopyrano[2,3-c]pyrrole
SMILESCCCCN1C=C2SC=CC=C2C1
InChIInChI=1S/C11H15NS/c1-2-3-6-12-8-10-5-4-7-13-11(10)9-12/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyMIEAZONEFGHRGS-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-5H-thiopyrano[2,3-c]pyrrole?
The IUPAC name of 6-butyl-5H-thiopyrano[2,3-c]pyrrole (CID 151071208) is 6-butyl-5H-thiopyrano[2,3-c]pyrrole.
What is the SMILES notation for 6-butyl-5H-thiopyrano[2,3-c]pyrrole?
The canonical SMILES for 6-butyl-5H-thiopyrano[2,3-c]pyrrole is CCCCN1C=C2SC=CC=C2C1.
What is the InChIKey of 6-butyl-5H-thiopyrano[2,3-c]pyrrole?
The InChIKey is MIEAZONEFGHRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-2-3-6-12-8-10-5-4-7-13-11(10)9-12/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of 6-butyl-5H-thiopyrano[2,3-c]pyrrole?
6-butyl-5H-thiopyrano[2,3-c]pyrrole has a molecular weight of 193.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5H-thiopyrano[2,3-c]pyrrole is sourced from PubChem (CID 151071208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).