(Z)-4-(ethylamino)-3-sulfanylpent-3-en-2-one

C7H13NOS — CID 89193816

IUPAC(Z)-4-(ethylamino)-3-sulfanylpent-3-en-2-one
SMILESCCN/C(C)=C(\S)C(C)=O
InChIInChI=1S/C7H13NOS/c1-4-8-5(2)7(10)6(3)9/h8,10H,4H2,1-3H3/b7-5-
InChIKeyVVLPGOWCHBJYSQ-ALCCZGGFSA-N
MW159.25 g/mol
LogP1.35
Rot. Bonds3

About (Z)-4-(ethylamino)-3-sulfanylpent-3-en-2-one

(Z)-4-(ethylamino)-3-sulfanylpent-3-en-2-one (PubChem CID 89193816) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is (Z)-4-(ethylamino)-3-sulfanylpent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(ethylamino)-3-sulfanylpent-3-en-2-one
PubChem CID89193816
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name(Z)-4-(ethylamino)-3-sulfanylpent-3-en-2-one
SMILESCCN/C(C)=C(\S)C(C)=O
InChIInChI=1S/C7H13NOS/c1-4-8-5(2)7(10)6(3)9/h8,10H,4H2,1-3H3/b7-5-
InChIKeyVVLPGOWCHBJYSQ-ALCCZGGFSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-sulfanyl-4-(2,2,2-trifluoroethylamino)pent-3-en-2-one
CID 89320251
(Z)-4-(methylamino)-3-sulfanylpent-3-en-2-one
CID 89193900
CID 88764909
CID 88764909
N-ethylacetamide;hydrochloride
CID 87177071
N-ethyl-3-methylbut-2-en-2-amine
CID 143053447
benzene;N-ethylacetamide;propane
CID 123217634
benzene;ethane;N-ethylacetamide
CID 90871799
N,N-diethylethanamine;N-ethylacetamide
CID 174959939
(E)-N-ethyl-2-methylbut-2-enamide
CID 22451134
carbamothioic S-acid;ethylcarbamothioic S-acid;trihydrate
CID 173162931
N,N'-diethylpropanediamide
CID 4600245
1,3-diethylurea;ethane
CID 142885504

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(ethylamino)-3-sulfanylpent-3-en-2-one?
The IUPAC name of (Z)-4-(ethylamino)-3-sulfanylpent-3-en-2-one (CID 89193816) is (Z)-4-(ethylamino)-3-sulfanylpent-3-en-2-one.
What is the SMILES notation for (Z)-4-(ethylamino)-3-sulfanylpent-3-en-2-one?
The canonical SMILES for (Z)-4-(ethylamino)-3-sulfanylpent-3-en-2-one is CCN/C(C)=C(\S)C(C)=O.
What is the InChIKey of (Z)-4-(ethylamino)-3-sulfanylpent-3-en-2-one?
The InChIKey is VVLPGOWCHBJYSQ-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H13NOS/c1-4-8-5(2)7(10)6(3)9/h8,10H,4H2,1-3H3/b7-5-.
What are the key properties of (Z)-4-(ethylamino)-3-sulfanylpent-3-en-2-one?
(Z)-4-(ethylamino)-3-sulfanylpent-3-en-2-one has a molecular weight of 159.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(ethylamino)-3-sulfanylpent-3-en-2-one is sourced from PubChem (CID 89193816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).