3-methyl-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane

C10H13NS — CID 44561132

IUPAC3-methyl-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2CC2(c2cccs2)C1
InChIInChI=1S/C10H13NS/c1-11-6-8-5-10(8,7-11)9-3-2-4-12-9/h2-4,8H,5-7H2,1H3
InChIKeyMHZRWPXTIYCXRZ-UHFFFAOYSA-N
MW179.29 g/mol
LogP1.95
Rot. Bonds1

About 3-methyl-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane

3-methyl-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 44561132) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 3-methyl-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-methyl-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID44561132
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name3-methyl-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2CC2(c2cccs2)C1
InChIInChI=1S/C10H13NS/c1-11-6-8-5-10(8,7-11)9-3-2-4-12-9/h2-4,8H,5-7H2,1H3
InChIKeyMHZRWPXTIYCXRZ-UHFFFAOYSA-N
XLogP1.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-methyl-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane (CID 44561132) is 3-methyl-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-methyl-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-methyl-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane is CN1CC2CC2(c2cccs2)C1.
What is the InChIKey of 3-methyl-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is MHZRWPXTIYCXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-11-6-8-5-10(8,7-11)9-3-2-4-12-9/h2-4,8H,5-7H2,1H3.
What are the key properties of 3-methyl-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane?
3-methyl-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 179.29 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 44561132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).