11-bromoundecane-1-thiol;N,N-dimethylmethanamine

C14H32BrNS — CID 134611243

IUPAC11-bromoundecane-1-thiol;N,N-dimethylmethanamine
SMILESCN(C)C.SCCCCCCCCCCCBr
InChIInChI=1S/C11H23BrS.C3H9N/c12-10-8-6-4-2-1-3-5-7-9-11-13;1-4(2)3/h13H,1-11H2;1-3H3
InChIKeyUQTLVJQOPAAIPM-UHFFFAOYSA-N
MW326.39 g/mol
LogP5.00
Rot. Bonds10

About 11-bromoundecane-1-thiol;N,N-dimethylmethanamine

11-bromoundecane-1-thiol;N,N-dimethylmethanamine (PubChem CID 134611243) has the molecular formula C14H32BrNS and a molecular weight of 326.39 g/mol. Its IUPAC name is 11-bromoundecane-1-thiol;N,N-dimethylmethanamine.

Molecular Properties

Compound Name11-bromoundecane-1-thiol;N,N-dimethylmethanamine
PubChem CID134611243
Molecular FormulaC14H32BrNS
Molecular Weight326.39 g/mol
Exact Mass325.14
IUPAC Name11-bromoundecane-1-thiol;N,N-dimethylmethanamine
SMILESCN(C)C.SCCCCCCCCCCCBr
InChIInChI=1S/C11H23BrS.C3H9N/c12-10-8-6-4-2-1-3-5-7-9-11-13;1-4(2)3/h13H,1-11H2;1-3H3
InChIKeyUQTLVJQOPAAIPM-UHFFFAOYSA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-bromoundecane-1-thiol;N,N-dimethylmethanamine?
The IUPAC name of 11-bromoundecane-1-thiol;N,N-dimethylmethanamine (CID 134611243) is 11-bromoundecane-1-thiol;N,N-dimethylmethanamine.
What is the SMILES notation for 11-bromoundecane-1-thiol;N,N-dimethylmethanamine?
The canonical SMILES for 11-bromoundecane-1-thiol;N,N-dimethylmethanamine is CN(C)C.SCCCCCCCCCCCBr.
What is the InChIKey of 11-bromoundecane-1-thiol;N,N-dimethylmethanamine?
The InChIKey is UQTLVJQOPAAIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrS.C3H9N/c12-10-8-6-4-2-1-3-5-7-9-11-13;1-4(2)3/h13H,1-11H2;1-3H3.
What are the key properties of 11-bromoundecane-1-thiol;N,N-dimethylmethanamine?
11-bromoundecane-1-thiol;N,N-dimethylmethanamine has a molecular weight of 326.39 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bromoundecane-1-thiol;N,N-dimethylmethanamine is sourced from PubChem (CID 134611243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).