1-[(E)-2-methylbut-1-enyl]sulfanylethanamine

C7H15NS — CID 89301375

IUPAC1-[(E)-2-methylbut-1-enyl]sulfanylethanamine
SMILESCC/C(C)=C/SC(C)N
InChIInChI=1S/C7H15NS/c1-4-6(2)5-9-7(3)8/h5,7H,4,8H2,1-3H3/b6-5+
InChIKeyZAKQCRZRBMIXPJ-AATRIKPKSA-N
MW145.27 g/mol
LogP2.34
Rot. Bonds3

About 1-[(E)-2-methylbut-1-enyl]sulfanylethanamine

1-[(E)-2-methylbut-1-enyl]sulfanylethanamine (PubChem CID 89301375) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 1-[(E)-2-methylbut-1-enyl]sulfanylethanamine.

Molecular Properties

Compound Name1-[(E)-2-methylbut-1-enyl]sulfanylethanamine
PubChem CID89301375
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name1-[(E)-2-methylbut-1-enyl]sulfanylethanamine
SMILESCC/C(C)=C/SC(C)N
InChIInChI=1S/C7H15NS/c1-4-6(2)5-9-7(3)8/h5,7H,4,8H2,1-3H3/b6-5+
InChIKeyZAKQCRZRBMIXPJ-AATRIKPKSA-N
XLogP2.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methylbut-1-enyl]sulfanylethanamine?
The IUPAC name of 1-[(E)-2-methylbut-1-enyl]sulfanylethanamine (CID 89301375) is 1-[(E)-2-methylbut-1-enyl]sulfanylethanamine.
What is the SMILES notation for 1-[(E)-2-methylbut-1-enyl]sulfanylethanamine?
The canonical SMILES for 1-[(E)-2-methylbut-1-enyl]sulfanylethanamine is CC/C(C)=C/SC(C)N.
What is the InChIKey of 1-[(E)-2-methylbut-1-enyl]sulfanylethanamine?
The InChIKey is ZAKQCRZRBMIXPJ-AATRIKPKSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-6(2)5-9-7(3)8/h5,7H,4,8H2,1-3H3/b6-5+.
What are the key properties of 1-[(E)-2-methylbut-1-enyl]sulfanylethanamine?
1-[(E)-2-methylbut-1-enyl]sulfanylethanamine has a molecular weight of 145.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methylbut-1-enyl]sulfanylethanamine is sourced from PubChem (CID 89301375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).