[amino(2-methoxyethylsulfanyl)methylidene]azanium

C4H11N2OS+ — CID 4101826

IUPAC[amino(2-methoxyethylsulfanyl)methylidene]azanium
SMILESCOCCSC(N)=[NH2+]
InChIInChI=1S/C4H10N2OS/c1-7-2-3-8-4(5)6/h2-3H2,1H3,(H3,5,6)/p+1
InChIKeyRLZIJRANMAVDPC-UHFFFAOYSA-O
MW135.21 g/mol
LogP-1.56
Rot. Bonds3

About [amino(2-methoxyethylsulfanyl)methylidene]azanium

[amino(2-methoxyethylsulfanyl)methylidene]azanium (PubChem CID 4101826) has the molecular formula C4H11N2OS+ and a molecular weight of 135.21 g/mol. Its IUPAC name is [amino(2-methoxyethylsulfanyl)methylidene]azanium.

Molecular Properties

Compound Name[amino(2-methoxyethylsulfanyl)methylidene]azanium
PubChem CID4101826
Molecular FormulaC4H11N2OS+
Molecular Weight135.21 g/mol
Exact Mass135.06
IUPAC Name[amino(2-methoxyethylsulfanyl)methylidene]azanium
SMILESCOCCSC(N)=[NH2+]
InChIInChI=1S/C4H10N2OS/c1-7-2-3-8-4(5)6/h2-3H2,1H3,(H3,5,6)/p+1
InChIKeyRLZIJRANMAVDPC-UHFFFAOYSA-O
XLogP-1.56
TPSA60.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino(2-methoxyethylsulfanyl)methylidene]azanium?
The IUPAC name of [amino(2-methoxyethylsulfanyl)methylidene]azanium (CID 4101826) is [amino(2-methoxyethylsulfanyl)methylidene]azanium.
What is the SMILES notation for [amino(2-methoxyethylsulfanyl)methylidene]azanium?
The canonical SMILES for [amino(2-methoxyethylsulfanyl)methylidene]azanium is COCCSC(N)=[NH2+].
What is the InChIKey of [amino(2-methoxyethylsulfanyl)methylidene]azanium?
The InChIKey is RLZIJRANMAVDPC-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N2OS/c1-7-2-3-8-4(5)6/h2-3H2,1H3,(H3,5,6)/p+1.
What are the key properties of [amino(2-methoxyethylsulfanyl)methylidene]azanium?
[amino(2-methoxyethylsulfanyl)methylidene]azanium has a molecular weight of 135.21 g/mol, XLogP of -1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(2-methoxyethylsulfanyl)methylidene]azanium is sourced from PubChem (CID 4101826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).