N-(6-bicyclo[3.2.0]hept-3-enyl)thiolan-3-amine

C11H17NS — CID 103062650

IUPACN-(6-bicyclo[3.2.0]hept-3-enyl)thiolan-3-amine
SMILESC1=CC2C(C1)CC2NC1CCSC1
InChIInChI=1S/C11H17NS/c1-2-8-6-11(10(8)3-1)12-9-4-5-13-7-9/h1,3,8-12H,2,4-7H2
InChIKeyASMSTPNMZYIMMU-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.05
Rot. Bonds2

About N-(6-bicyclo[3.2.0]hept-3-enyl)thiolan-3-amine

N-(6-bicyclo[3.2.0]hept-3-enyl)thiolan-3-amine (PubChem CID 103062650) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-3-enyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-3-enyl)thiolan-3-amine
PubChem CID103062650
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN-(6-bicyclo[3.2.0]hept-3-enyl)thiolan-3-amine
SMILESC1=CC2C(C1)CC2NC1CCSC1
InChIInChI=1S/C11H17NS/c1-2-8-6-11(10(8)3-1)12-9-4-5-13-7-9/h1,3,8-12H,2,4-7H2
InChIKeyASMSTPNMZYIMMU-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)thiolan-3-amine?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)thiolan-3-amine (CID 103062650) is N-(6-bicyclo[3.2.0]hept-3-enyl)thiolan-3-amine.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-3-enyl)thiolan-3-amine?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-3-enyl)thiolan-3-amine is C1=CC2C(C1)CC2NC1CCSC1.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-3-enyl)thiolan-3-amine?
The InChIKey is ASMSTPNMZYIMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-2-8-6-11(10(8)3-1)12-9-4-5-13-7-9/h1,3,8-12H,2,4-7H2.
What are the key properties of N-(6-bicyclo[3.2.0]hept-3-enyl)thiolan-3-amine?
N-(6-bicyclo[3.2.0]hept-3-enyl)thiolan-3-amine has a molecular weight of 195.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bicyclo[3.2.0]hept-3-enyl)thiolan-3-amine is sourced from PubChem (CID 103062650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).