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

C6H11NOS — CID 89193900

IUPAC(Z)-4-(methylamino)-3-sulfanylpent-3-en-2-one
SMILESCN/C(C)=C(\S)C(C)=O
InChIInChI=1S/C6H11NOS/c1-4(7-3)6(9)5(2)8/h7,9H,1-3H3/b6-4-
InChIKeyPILRSKXGKVBODQ-XQRVVYSFSA-N
MW145.23 g/mol
LogP0.96
Rot. Bonds2

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

(Z)-4-(methylamino)-3-sulfanylpent-3-en-2-one (PubChem CID 89193900) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is (Z)-4-(methylamino)-3-sulfanylpent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(methylamino)-3-sulfanylpent-3-en-2-one
PubChem CID89193900
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name(Z)-4-(methylamino)-3-sulfanylpent-3-en-2-one
SMILESCN/C(C)=C(\S)C(C)=O
InChIInChI=1S/C6H11NOS/c1-4(7-3)6(9)5(2)8/h7,9H,1-3H3/b6-4-
InChIKeyPILRSKXGKVBODQ-XQRVVYSFSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.96
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)-4-(ethylamino)-3-sulfanylpent-3-en-2-one
CID 89193816
3-methyl-4-(methylamino)pent-3-en-2-one
CID 20584278
(Z)-3-sulfanyl-4-(2,2,2-trifluoroethylamino)pent-3-en-2-one
CID 89320251
copper;methylcarbamothioic S-acid
CID 161427442
N,N'-di((113C)methyl)oxamide
CID 169438737
1,3-dimethylurea
CID 163366790
1,3-dimethylurea
CID 7293
(Z,3Z)-3-ethylidene-4-methyl-5-(methylamino)hex-4-en-2-one
CID 143036535
CID 159040973
CID 159040973
1-indiganyl-N-methylformamide
CID 157075368
bis(N-methylacetamide);propan-2-one
CID 158104043
methane;N-methylacetamide
CID 169425645

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(methylamino)-3-sulfanylpent-3-en-2-one?
The IUPAC name of (Z)-4-(methylamino)-3-sulfanylpent-3-en-2-one (CID 89193900) is (Z)-4-(methylamino)-3-sulfanylpent-3-en-2-one.
What is the SMILES notation for (Z)-4-(methylamino)-3-sulfanylpent-3-en-2-one?
The canonical SMILES for (Z)-4-(methylamino)-3-sulfanylpent-3-en-2-one is CN/C(C)=C(\S)C(C)=O.
What is the InChIKey of (Z)-4-(methylamino)-3-sulfanylpent-3-en-2-one?
The InChIKey is PILRSKXGKVBODQ-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H11NOS/c1-4(7-3)6(9)5(2)8/h7,9H,1-3H3/b6-4-.
What are the key properties of (Z)-4-(methylamino)-3-sulfanylpent-3-en-2-one?
(Z)-4-(methylamino)-3-sulfanylpent-3-en-2-one has a molecular weight of 145.23 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(methylamino)-3-sulfanylpent-3-en-2-one is sourced from PubChem (CID 89193900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).