3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine

C6H16N2OS — CID 131126138

IUPAC3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine
SMILESCNCCCN=S(C)(C)=O
InChIInChI=1S/C6H16N2OS/c1-7-5-4-6-8-10(2,3)9/h7H,4-6H2,1-3H3
InChIKeyBPABGDQXHDANBF-UHFFFAOYSA-N
MW164.27 g/mol
LogP0.32
Rot. Bonds4

About 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine

3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine (PubChem CID 131126138) has the molecular formula C6H16N2OS and a molecular weight of 164.27 g/mol. Its IUPAC name is 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine
PubChem CID131126138
Molecular FormulaC6H16N2OS
Molecular Weight164.27 g/mol
Exact Mass164.10
IUPAC Name3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine
SMILESCNCCCN=S(C)(C)=O
InChIInChI=1S/C6H16N2OS/c1-7-5-4-6-8-10(2,3)9/h7H,4-6H2,1-3H3
InChIKeyBPABGDQXHDANBF-UHFFFAOYSA-N
XLogP0.32
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine?
The IUPAC name of 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine (CID 131126138) is 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine?
The canonical SMILES for 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine is CNCCCN=S(C)(C)=O.
What is the InChIKey of 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine?
The InChIKey is BPABGDQXHDANBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2OS/c1-7-5-4-6-8-10(2,3)9/h7H,4-6H2,1-3H3.
What are the key properties of 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine?
3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine has a molecular weight of 164.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-methylpropan-1-amine is sourced from PubChem (CID 131126138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).