1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-1,2-thiazolidine

C12H21NS — CID 171655585

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-1,2-thiazolidine
SMILESCS1(CC2CC3C=CC2C3)CCCN1
InChIInChI=1S/C12H21NS/c1-14(6-2-5-13-14)9-12-8-10-3-4-11(12)7-10/h3-4,10-13H,2,5-9H2,1H3
InChIKeyGQDFUOBHWNANQN-UHFFFAOYSA-N
MW211.37 g/mol
LogP2.54
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-1,2-thiazolidine

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-1,2-thiazolidine (PubChem CID 171655585) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-1,2-thiazolidine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-1,2-thiazolidine
PubChem CID171655585
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-1,2-thiazolidine
SMILESCS1(CC2CC3C=CC2C3)CCCN1
InChIInChI=1S/C12H21NS/c1-14(6-2-5-13-14)9-12-8-10-3-4-11(12)7-10/h3-4,10-13H,2,5-9H2,1H3
InChIKeyGQDFUOBHWNANQN-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Bicyclo[2.2.1]hept-5-enylmethylsulfanyl)ethanamine
CID 57644202
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(thiolan-2-yl)methanamine
CID 80399987
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528608
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(thiolan-3-yl)methanamine
CID 107295473

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-1,2-thiazolidine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-1,2-thiazolidine (CID 171655585) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-1,2-thiazolidine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-1,2-thiazolidine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-1,2-thiazolidine is CS1(CC2CC3C=CC2C3)CCCN1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-1,2-thiazolidine?
The InChIKey is GQDFUOBHWNANQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-14(6-2-5-13-14)9-12-8-10-3-4-11(12)7-10/h3-4,10-13H,2,5-9H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-1,2-thiazolidine?
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-1,2-thiazolidine has a molecular weight of 211.37 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-1,2-thiazolidine is sourced from PubChem (CID 171655585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).