2-prop-1-en-2-ylsulfanylethanamine

C5H11NS — CID 88544280

IUPAC2-prop-1-en-2-ylsulfanylethanamine
SMILESC=C(C)SCCN
InChIInChI=1S/C5H11NS/c1-5(2)7-4-3-6/h1,3-4,6H2,2H3
InChIKeyPHJCHTPWNBSEPC-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.21
Rot. Bonds3

About 2-prop-1-en-2-ylsulfanylethanamine

2-prop-1-en-2-ylsulfanylethanamine (PubChem CID 88544280) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 2-prop-1-en-2-ylsulfanylethanamine.

Molecular Properties

Compound Name2-prop-1-en-2-ylsulfanylethanamine
PubChem CID88544280
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name2-prop-1-en-2-ylsulfanylethanamine
SMILESC=C(C)SCCN
InChIInChI=1S/C5H11NS/c1-5(2)7-4-3-6/h1,3-4,6H2,2H3
InChIKeyPHJCHTPWNBSEPC-UHFFFAOYSA-N
XLogP1.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-ylsulfanylethanamine?
The IUPAC name of 2-prop-1-en-2-ylsulfanylethanamine (CID 88544280) is 2-prop-1-en-2-ylsulfanylethanamine.
What is the SMILES notation for 2-prop-1-en-2-ylsulfanylethanamine?
The canonical SMILES for 2-prop-1-en-2-ylsulfanylethanamine is C=C(C)SCCN.
What is the InChIKey of 2-prop-1-en-2-ylsulfanylethanamine?
The InChIKey is PHJCHTPWNBSEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-5(2)7-4-3-6/h1,3-4,6H2,2H3.
What are the key properties of 2-prop-1-en-2-ylsulfanylethanamine?
2-prop-1-en-2-ylsulfanylethanamine has a molecular weight of 117.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-ylsulfanylethanamine is sourced from PubChem (CID 88544280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).