1-[ethyl(prop-2-enyl)amino]ethanethiol

C7H15NS — CID 142101527

IUPAC1-[ethyl(prop-2-enyl)amino]ethanethiol
SMILESC=CCN(CC)C(C)S
InChIInChI=1S/C7H15NS/c1-4-6-8(5-2)7(3)9/h4,7,9H,1,5-6H2,2-3H3
InChIKeyZTUDPPDRPXZNAH-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.77
Rot. Bonds4

About 1-[ethyl(prop-2-enyl)amino]ethanethiol

1-[ethyl(prop-2-enyl)amino]ethanethiol (PubChem CID 142101527) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 1-[ethyl(prop-2-enyl)amino]ethanethiol.

Molecular Properties

Compound Name1-[ethyl(prop-2-enyl)amino]ethanethiol
PubChem CID142101527
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name1-[ethyl(prop-2-enyl)amino]ethanethiol
SMILESC=CCN(CC)C(C)S
InChIInChI=1S/C7H15NS/c1-4-6-8(5-2)7(3)9/h4,7,9H,1,5-6H2,2-3H3
InChIKeyZTUDPPDRPXZNAH-UHFFFAOYSA-N
XLogP1.77
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(prop-2-enyl)amino]ethanethiol?
The IUPAC name of 1-[ethyl(prop-2-enyl)amino]ethanethiol (CID 142101527) is 1-[ethyl(prop-2-enyl)amino]ethanethiol.
What is the SMILES notation for 1-[ethyl(prop-2-enyl)amino]ethanethiol?
The canonical SMILES for 1-[ethyl(prop-2-enyl)amino]ethanethiol is C=CCN(CC)C(C)S.
What is the InChIKey of 1-[ethyl(prop-2-enyl)amino]ethanethiol?
The InChIKey is ZTUDPPDRPXZNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-6-8(5-2)7(3)9/h4,7,9H,1,5-6H2,2-3H3.
What are the key properties of 1-[ethyl(prop-2-enyl)amino]ethanethiol?
1-[ethyl(prop-2-enyl)amino]ethanethiol has a molecular weight of 145.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(prop-2-enyl)amino]ethanethiol is sourced from PubChem (CID 142101527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).