2-propan-2-ylsulfanylethanamine

C5H13NS — CID 15111098

IUPAC2-propan-2-ylsulfanylethanamine
SMILESCC(C)SCCN
InChIInChI=1S/C5H13NS/c1-5(2)7-4-3-6/h5H,3-4,6H2,1-2H3
InChIKeyQDMWHNBXADHQCO-UHFFFAOYSA-N
MW119.23 g/mol
LogP1.09
Rot. Bonds3

About 2-propan-2-ylsulfanylethanamine

2-propan-2-ylsulfanylethanamine (PubChem CID 15111098) has the molecular formula C5H13NS and a molecular weight of 119.23 g/mol. Its IUPAC name is 2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound Name2-propan-2-ylsulfanylethanamine
PubChem CID15111098
Molecular FormulaC5H13NS
Molecular Weight119.23 g/mol
Exact Mass119.08
IUPAC Name2-propan-2-ylsulfanylethanamine
SMILESCC(C)SCCN
InChIInChI=1S/C5H13NS/c1-5(2)7-4-3-6/h5H,3-4,6H2,1-2H3
InChIKeyQDMWHNBXADHQCO-UHFFFAOYSA-N
XLogP1.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanylethanamine?
The IUPAC name of 2-propan-2-ylsulfanylethanamine (CID 15111098) is 2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for 2-propan-2-ylsulfanylethanamine?
The canonical SMILES for 2-propan-2-ylsulfanylethanamine is CC(C)SCCN.
What is the InChIKey of 2-propan-2-ylsulfanylethanamine?
The InChIKey is QDMWHNBXADHQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS/c1-5(2)7-4-3-6/h5H,3-4,6H2,1-2H3.
What are the key properties of 2-propan-2-ylsulfanylethanamine?
2-propan-2-ylsulfanylethanamine has a molecular weight of 119.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 15111098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).