5-ethyl-4-[(Z)-2-methylsulfanylethenyl]-1-oxothiolan-3-amine

C9H17NOS2 — CID 163874396

IUPAC5-ethyl-4-[(Z)-2-methylsulfanylethenyl]-1-oxothiolan-3-amine
SMILESCCC1C(/C=C\SC)C(N)CS1=O
InChIInChI=1S/C9H17NOS2/c1-3-9-7(4-5-12-2)8(10)6-13(9)11/h4-5,7-9H,3,6,10H2,1-2H3/b5-4-
InChIKeyPNPLKZBLBRXIOY-PLNGDYQASA-N
MW219.37 g/mol
LogP1.35
Rot. Bonds3

About 5-ethyl-4-[(Z)-2-methylsulfanylethenyl]-1-oxothiolan-3-amine

5-ethyl-4-[(Z)-2-methylsulfanylethenyl]-1-oxothiolan-3-amine (PubChem CID 163874396) has the molecular formula C9H17NOS2 and a molecular weight of 219.37 g/mol. Its IUPAC name is 5-ethyl-4-[(Z)-2-methylsulfanylethenyl]-1-oxothiolan-3-amine.

Molecular Properties

Compound Name5-ethyl-4-[(Z)-2-methylsulfanylethenyl]-1-oxothiolan-3-amine
PubChem CID163874396
Molecular FormulaC9H17NOS2
Molecular Weight219.37 g/mol
Exact Mass219.08
IUPAC Name5-ethyl-4-[(Z)-2-methylsulfanylethenyl]-1-oxothiolan-3-amine
SMILESCCC1C(/C=C\SC)C(N)CS1=O
InChIInChI=1S/C9H17NOS2/c1-3-9-7(4-5-12-2)8(10)6-13(9)11/h4-5,7-9H,3,6,10H2,1-2H3/b5-4-
InChIKeyPNPLKZBLBRXIOY-PLNGDYQASA-N
XLogP1.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-methyl-N-[(2R)-1-(2-methyl-1,3-dithiolan-2-yl)pent-4-en-2-yl]propane-2-sulfinamide
CID 142735628
1-(1,1-Dioxothiolan-3-yl)pent-4-en-2-amine
CID 105108040
1-(2-Methylthiolan-2-yl)but-3-en-1-amine
CID 105108146
1-(Thiolan-3-yl)but-3-en-1-amine
CID 105108473
1-(1,1-dioxothiolan-3-yl)-N-methylpent-4-en-2-amine
CID 105108523
1-(1,1-Dioxothiolan-3-yl)hept-6-en-2-amine
CID 105153053
1-(1,1-Dioxothiolan-3-yl)hex-5-en-2-amine
CID 105153363
1-(2-Methylthiolan-2-yl)pent-4-en-1-amine
CID 105153404
1-(Thiolan-3-yl)pent-4-en-1-amine
CID 105153513
1-(1,1-Dioxothiolan-3-yl)but-3-en-2-amine
CID 105161141
1-(2-Methylthiolan-2-yl)prop-2-en-1-amine
CID 105161177
1-(1,1-dioxothiolan-3-yl)-N-methylbut-3-en-2-amine
CID 105161291

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[(Z)-2-methylsulfanylethenyl]-1-oxothiolan-3-amine?
The IUPAC name of 5-ethyl-4-[(Z)-2-methylsulfanylethenyl]-1-oxothiolan-3-amine (CID 163874396) is 5-ethyl-4-[(Z)-2-methylsulfanylethenyl]-1-oxothiolan-3-amine.
What is the SMILES notation for 5-ethyl-4-[(Z)-2-methylsulfanylethenyl]-1-oxothiolan-3-amine?
The canonical SMILES for 5-ethyl-4-[(Z)-2-methylsulfanylethenyl]-1-oxothiolan-3-amine is CCC1C(/C=C\SC)C(N)CS1=O.
What is the InChIKey of 5-ethyl-4-[(Z)-2-methylsulfanylethenyl]-1-oxothiolan-3-amine?
The InChIKey is PNPLKZBLBRXIOY-PLNGDYQASA-N. The full InChI is InChI=1S/C9H17NOS2/c1-3-9-7(4-5-12-2)8(10)6-13(9)11/h4-5,7-9H,3,6,10H2,1-2H3/b5-4-.
What are the key properties of 5-ethyl-4-[(Z)-2-methylsulfanylethenyl]-1-oxothiolan-3-amine?
5-ethyl-4-[(Z)-2-methylsulfanylethenyl]-1-oxothiolan-3-amine has a molecular weight of 219.37 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[(Z)-2-methylsulfanylethenyl]-1-oxothiolan-3-amine is sourced from PubChem (CID 163874396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).