(Z)-1-[methoxy(methyl)amino]prop-1-ene-2-thiol

C5H11NOS — CID 170087997

IUPAC(Z)-1-[methoxy(methyl)amino]prop-1-ene-2-thiol
SMILESCON(C)/C=C(/C)S
InChIInChI=1S/C5H11NOS/c1-5(8)4-6(2)7-3/h4,8H,1-3H3/b5-4-
InChIKeyMXTIMGJAGIOKJT-PLNGDYQASA-N
MW133.22 g/mol
LogP1.27
Rot. Bonds2

About (Z)-1-[methoxy(methyl)amino]prop-1-ene-2-thiol

(Z)-1-[methoxy(methyl)amino]prop-1-ene-2-thiol (PubChem CID 170087997) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is (Z)-1-[methoxy(methyl)amino]prop-1-ene-2-thiol.

Molecular Properties

Compound Name(Z)-1-[methoxy(methyl)amino]prop-1-ene-2-thiol
PubChem CID170087997
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name(Z)-1-[methoxy(methyl)amino]prop-1-ene-2-thiol
SMILESCON(C)/C=C(/C)S
InChIInChI=1S/C5H11NOS/c1-5(8)4-6(2)7-3/h4,8H,1-3H3/b5-4-
InChIKeyMXTIMGJAGIOKJT-PLNGDYQASA-N
XLogP1.27
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[methoxy(methyl)amino]prop-1-ene-2-thiol?
The IUPAC name of (Z)-1-[methoxy(methyl)amino]prop-1-ene-2-thiol (CID 170087997) is (Z)-1-[methoxy(methyl)amino]prop-1-ene-2-thiol.
What is the SMILES notation for (Z)-1-[methoxy(methyl)amino]prop-1-ene-2-thiol?
The canonical SMILES for (Z)-1-[methoxy(methyl)amino]prop-1-ene-2-thiol is CON(C)/C=C(/C)S.
What is the InChIKey of (Z)-1-[methoxy(methyl)amino]prop-1-ene-2-thiol?
The InChIKey is MXTIMGJAGIOKJT-PLNGDYQASA-N. The full InChI is InChI=1S/C5H11NOS/c1-5(8)4-6(2)7-3/h4,8H,1-3H3/b5-4-.
What are the key properties of (Z)-1-[methoxy(methyl)amino]prop-1-ene-2-thiol?
(Z)-1-[methoxy(methyl)amino]prop-1-ene-2-thiol has a molecular weight of 133.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[methoxy(methyl)amino]prop-1-ene-2-thiol is sourced from PubChem (CID 170087997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).