(E)-2-(methylaminooxy)pent-2-ene-3-thiol

C6H13NOS — CID 89224204

IUPAC(E)-2-(methylaminooxy)pent-2-ene-3-thiol
SMILESCC/C(S)=C(/C)ONC
InChIInChI=1S/C6H13NOS/c1-4-6(9)5(2)8-7-3/h7,9H,4H2,1-3H3/b6-5+
InChIKeyFYSICLXRYVWRKW-AATRIKPKSA-N
MW147.24 g/mol
LogP1.71
Rot. Bonds3

About (E)-2-(methylaminooxy)pent-2-ene-3-thiol

(E)-2-(methylaminooxy)pent-2-ene-3-thiol (PubChem CID 89224204) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is (E)-2-(methylaminooxy)pent-2-ene-3-thiol.

Molecular Properties

Compound Name(E)-2-(methylaminooxy)pent-2-ene-3-thiol
PubChem CID89224204
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name(E)-2-(methylaminooxy)pent-2-ene-3-thiol
SMILESCC/C(S)=C(/C)ONC
InChIInChI=1S/C6H13NOS/c1-4-6(9)5(2)8-7-3/h7,9H,4H2,1-3H3/b6-5+
InChIKeyFYSICLXRYVWRKW-AATRIKPKSA-N
XLogP1.71
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethylurea;methylamino N-ethylcarbamate;N-methylpropanamide;propan-2-one
CID 90924922
chloromethane;methylamino 2-methylidenebutanoate
CID 159451589
N-[(Z)-but-2-en-2-yl]oxymethanamine
CID 129194467
(Z,2Z)-3-methyl-2-(methylaminomethylidene)-4-sulfanylhex-3-enamide
CID 143029558
ethane;(Z)-2-methoxy-3-methylpent-2-ene
CID 144825663
methylamino 2-chloroethanimidate
CID 142422213
(2E,4E)-5-methoxyhepta-2,4-diene-2-thiol
CID 143901449
4-ethyl-2-methylhexa-2,3-diene
CID 14399059
prop-1-ene-1,1,2-trithiol
CID 88897307
disodium;hydride;(propanoyloxyamino) propanoate
CID 175458235
methylamino 2-methylhept-2-enoate
CID 174825179
propanethioic S-acid
CID 87087684

Frequently Asked Questions

What is the IUPAC name of (E)-2-(methylaminooxy)pent-2-ene-3-thiol?
The IUPAC name of (E)-2-(methylaminooxy)pent-2-ene-3-thiol (CID 89224204) is (E)-2-(methylaminooxy)pent-2-ene-3-thiol.
What is the SMILES notation for (E)-2-(methylaminooxy)pent-2-ene-3-thiol?
The canonical SMILES for (E)-2-(methylaminooxy)pent-2-ene-3-thiol is CC/C(S)=C(/C)ONC.
What is the InChIKey of (E)-2-(methylaminooxy)pent-2-ene-3-thiol?
The InChIKey is FYSICLXRYVWRKW-AATRIKPKSA-N. The full InChI is InChI=1S/C6H13NOS/c1-4-6(9)5(2)8-7-3/h7,9H,4H2,1-3H3/b6-5+.
What are the key properties of (E)-2-(methylaminooxy)pent-2-ene-3-thiol?
(E)-2-(methylaminooxy)pent-2-ene-3-thiol has a molecular weight of 147.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(methylaminooxy)pent-2-ene-3-thiol is sourced from PubChem (CID 89224204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).