2-cyclobutylsulfanyl-N,N-dimethylethanamine

C8H17NS — CID 126992283

IUPAC2-cyclobutylsulfanyl-N,N-dimethylethanamine
SMILESCN(C)CCSC1CCC1
InChIInChI=1S/C8H17NS/c1-9(2)6-7-10-8-4-3-5-8/h8H,3-7H2,1-2H3
InChIKeyOQSMMTZFYFOQJS-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds4

About 2-cyclobutylsulfanyl-N,N-dimethylethanamine

2-cyclobutylsulfanyl-N,N-dimethylethanamine (PubChem CID 126992283) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-cyclobutylsulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-cyclobutylsulfanyl-N,N-dimethylethanamine
PubChem CID126992283
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-cyclobutylsulfanyl-N,N-dimethylethanamine
SMILESCN(C)CCSC1CCC1
InChIInChI=1S/C8H17NS/c1-9(2)6-7-10-8-4-3-5-8/h8H,3-7H2,1-2H3
InChIKeyOQSMMTZFYFOQJS-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylsulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-cyclobutylsulfanyl-N,N-dimethylethanamine (CID 126992283) is 2-cyclobutylsulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-cyclobutylsulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-cyclobutylsulfanyl-N,N-dimethylethanamine is CN(C)CCSC1CCC1.
What is the InChIKey of 2-cyclobutylsulfanyl-N,N-dimethylethanamine?
The InChIKey is OQSMMTZFYFOQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-9(2)6-7-10-8-4-3-5-8/h8H,3-7H2,1-2H3.
What are the key properties of 2-cyclobutylsulfanyl-N,N-dimethylethanamine?
2-cyclobutylsulfanyl-N,N-dimethylethanamine has a molecular weight of 159.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylsulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 126992283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).