amino-[[1-methoxy-2-(methylamino)butylidene]amino]-oxidosulfanium

C6H15N3O2S — CID 174032383

IUPACamino-[[1-methoxy-2-(methylamino)butylidene]amino]-oxidosulfanium
SMILESCCC(NC)C(=N[S+](N)[O-])OC
InChIInChI=1S/C6H15N3O2S/c1-4-5(8-2)6(11-3)9-12(7)10/h5,8H,4,7H2,1-3H3
InChIKeyHEDNLRDWCWFLTL-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.43
Rot. Bonds4

About amino-[[1-methoxy-2-(methylamino)butylidene]amino]-oxidosulfanium

amino-[[1-methoxy-2-(methylamino)butylidene]amino]-oxidosulfanium (PubChem CID 174032383) has the molecular formula C6H15N3O2S and a molecular weight of 193.27 g/mol. Its IUPAC name is amino-[[1-methoxy-2-(methylamino)butylidene]amino]-oxidosulfanium.

Molecular Properties

Compound Nameamino-[[1-methoxy-2-(methylamino)butylidene]amino]-oxidosulfanium
PubChem CID174032383
Molecular FormulaC6H15N3O2S
Molecular Weight193.27 g/mol
Exact Mass193.09
IUPAC Nameamino-[[1-methoxy-2-(methylamino)butylidene]amino]-oxidosulfanium
SMILESCCC(NC)C(=N[S+](N)[O-])OC
InChIInChI=1S/C6H15N3O2S/c1-4-5(8-2)6(11-3)9-12(7)10/h5,8H,4,7H2,1-3H3
InChIKeyHEDNLRDWCWFLTL-UHFFFAOYSA-N
XLogP-0.43
TPSA82.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

amino 2-(methylamino)butanoate
CID 89108976
(2S)-2-(methylamino)butanoyl iodide
CID 163605263
ethane;2-(methylamino)butanoic acid
CID 91558033
(3-methoxy-3-methylbutyl) 2-(methylamino)butanoate
CID 106666081
methyl 2-[hydroxy(methylamino)methyl]butanoate
CID 90894245
N'-hydroxy-2-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide
CID 77030893
methyl (1Z)-N,2-dimethylpropanehydrazonate
CID 139517370
N-methyl-4-methylideneheptan-3-amine
CID 166854127
ethane;methyl 3-amino-2-(methylamino)propanoate
CID 142001160
4,6-diimino-N-methylheptan-3-amine
CID 123227911
methyl 6-(hydroxymethyl)-1-[2-(methylamino)butanoyl]piperidine-2-carboxylate
CID 22955198
O-methyl 2-(methylamino)pentanethioate
CID 166719914

Frequently Asked Questions

What is the IUPAC name of amino-[[1-methoxy-2-(methylamino)butylidene]amino]-oxidosulfanium?
The IUPAC name of amino-[[1-methoxy-2-(methylamino)butylidene]amino]-oxidosulfanium (CID 174032383) is amino-[[1-methoxy-2-(methylamino)butylidene]amino]-oxidosulfanium.
What is the SMILES notation for amino-[[1-methoxy-2-(methylamino)butylidene]amino]-oxidosulfanium?
The canonical SMILES for amino-[[1-methoxy-2-(methylamino)butylidene]amino]-oxidosulfanium is CCC(NC)C(=N[S+](N)[O-])OC.
What is the InChIKey of amino-[[1-methoxy-2-(methylamino)butylidene]amino]-oxidosulfanium?
The InChIKey is HEDNLRDWCWFLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S/c1-4-5(8-2)6(11-3)9-12(7)10/h5,8H,4,7H2,1-3H3.
What are the key properties of amino-[[1-methoxy-2-(methylamino)butylidene]amino]-oxidosulfanium?
amino-[[1-methoxy-2-(methylamino)butylidene]amino]-oxidosulfanium has a molecular weight of 193.27 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[[1-methoxy-2-(methylamino)butylidene]amino]-oxidosulfanium is sourced from PubChem (CID 174032383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).