2-tert-butylsulfanylethanamine

C6H15NS — CID 2774519

IUPAC2-tert-butylsulfanylethanamine
SMILESCC(C)(C)SCCN
InChIInChI=1S/C6H15NS/c1-6(2,3)8-5-4-7/h4-5,7H2,1-3H3
InChIKeyNXALBHIRLFDURB-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.48
Rot. Bonds2

About 2-tert-butylsulfanylethanamine

2-tert-butylsulfanylethanamine (PubChem CID 2774519) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is 2-tert-butylsulfanylethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanylethanamine
PubChem CID2774519
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Name2-tert-butylsulfanylethanamine
SMILESCC(C)(C)SCCN
InChIInChI=1S/C6H15NS/c1-6(2,3)8-5-4-7/h4-5,7H2,1-3H3
InChIKeyNXALBHIRLFDURB-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanylethanamine?
The IUPAC name of 2-tert-butylsulfanylethanamine (CID 2774519) is 2-tert-butylsulfanylethanamine.
What is the SMILES notation for 2-tert-butylsulfanylethanamine?
The canonical SMILES for 2-tert-butylsulfanylethanamine is CC(C)(C)SCCN.
What is the InChIKey of 2-tert-butylsulfanylethanamine?
The InChIKey is NXALBHIRLFDURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-6(2,3)8-5-4-7/h4-5,7H2,1-3H3.
What are the key properties of 2-tert-butylsulfanylethanamine?
2-tert-butylsulfanylethanamine has a molecular weight of 133.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanylethanamine is sourced from PubChem (CID 2774519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).