[methyl(1-sulfanylethyl)azaniumyl]-propan-2-ylazanide

C6H16N2S — CID 163451346

IUPAC[methyl(1-sulfanylethyl)azaniumyl]-propan-2-ylazanide
SMILESCC(C)[N-][NH+](C)C(C)S
InChIInChI=1S/C6H16N2S/c1-5(2)7-8(4)6(3)9/h5-6,8-9H,1-4H3
InChIKeyBGWIVPMVDYQCOA-UHFFFAOYSA-N
MW148.27 g/mol
LogP0.47
Rot. Bonds3

About [methyl(1-sulfanylethyl)azaniumyl]-propan-2-ylazanide

[methyl(1-sulfanylethyl)azaniumyl]-propan-2-ylazanide (PubChem CID 163451346) has the molecular formula C6H16N2S and a molecular weight of 148.27 g/mol. Its IUPAC name is [methyl(1-sulfanylethyl)azaniumyl]-propan-2-ylazanide.

Molecular Properties

Compound Name[methyl(1-sulfanylethyl)azaniumyl]-propan-2-ylazanide
PubChem CID163451346
Molecular FormulaC6H16N2S
Molecular Weight148.27 g/mol
Exact Mass148.10
IUPAC Name[methyl(1-sulfanylethyl)azaniumyl]-propan-2-ylazanide
SMILESCC(C)[N-][NH+](C)C(C)S
InChIInChI=1S/C6H16N2S/c1-5(2)7-8(4)6(3)9/h5-6,8-9H,1-4H3
InChIKeyBGWIVPMVDYQCOA-UHFFFAOYSA-N
XLogP0.47
TPSA18.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 [methyl(1-sulfanylethyl)azaniumyl]-propan-2-ylazanide?
The IUPAC name of [methyl(1-sulfanylethyl)azaniumyl]-propan-2-ylazanide (CID 163451346) is [methyl(1-sulfanylethyl)azaniumyl]-propan-2-ylazanide.
What is the SMILES notation for [methyl(1-sulfanylethyl)azaniumyl]-propan-2-ylazanide?
The canonical SMILES for [methyl(1-sulfanylethyl)azaniumyl]-propan-2-ylazanide is CC(C)[N-][NH+](C)C(C)S.
What is the InChIKey of [methyl(1-sulfanylethyl)azaniumyl]-propan-2-ylazanide?
The InChIKey is BGWIVPMVDYQCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S/c1-5(2)7-8(4)6(3)9/h5-6,8-9H,1-4H3.
What are the key properties of [methyl(1-sulfanylethyl)azaniumyl]-propan-2-ylazanide?
[methyl(1-sulfanylethyl)azaniumyl]-propan-2-ylazanide has a molecular weight of 148.27 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(1-sulfanylethyl)azaniumyl]-propan-2-ylazanide is sourced from PubChem (CID 163451346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).