(E)-N-ethyl-3-(ethylamino)prop-2-enethioamide

C7H14N2S — CID 87475300

IUPAC(E)-N-ethyl-3-(ethylamino)prop-2-enethioamide
SMILESCCN/C=C/C(=S)NCC
InChIInChI=1S/C7H14N2S/c1-3-8-6-5-7(10)9-4-2/h5-6,8H,3-4H2,1-2H3,(H,9,10)/b6-5+
InChIKeyNHRHMLPHWZTORZ-AATRIKPKSA-N
MW158.27 g/mol
LogP1.05
Rot. Bonds4

About (E)-N-ethyl-3-(ethylamino)prop-2-enethioamide

(E)-N-ethyl-3-(ethylamino)prop-2-enethioamide (PubChem CID 87475300) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is (E)-N-ethyl-3-(ethylamino)prop-2-enethioamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(ethylamino)prop-2-enethioamide
PubChem CID87475300
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name(E)-N-ethyl-3-(ethylamino)prop-2-enethioamide
SMILESCCN/C=C/C(=S)NCC
InChIInChI=1S/C7H14N2S/c1-3-8-6-5-7(10)9-4-2/h5-6,8H,3-4H2,1-2H3,(H,9,10)/b6-5+
InChIKeyNHRHMLPHWZTORZ-AATRIKPKSA-N
XLogP1.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(ethylamino)prop-2-enethioamide?
The IUPAC name of (E)-N-ethyl-3-(ethylamino)prop-2-enethioamide (CID 87475300) is (E)-N-ethyl-3-(ethylamino)prop-2-enethioamide.
What is the SMILES notation for (E)-N-ethyl-3-(ethylamino)prop-2-enethioamide?
The canonical SMILES for (E)-N-ethyl-3-(ethylamino)prop-2-enethioamide is CCN/C=C/C(=S)NCC.
What is the InChIKey of (E)-N-ethyl-3-(ethylamino)prop-2-enethioamide?
The InChIKey is NHRHMLPHWZTORZ-AATRIKPKSA-N. The full InChI is InChI=1S/C7H14N2S/c1-3-8-6-5-7(10)9-4-2/h5-6,8H,3-4H2,1-2H3,(H,9,10)/b6-5+.
What are the key properties of (E)-N-ethyl-3-(ethylamino)prop-2-enethioamide?
(E)-N-ethyl-3-(ethylamino)prop-2-enethioamide has a molecular weight of 158.27 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(ethylamino)prop-2-enethioamide is sourced from PubChem (CID 87475300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).