ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane

C9H32N5O2S- — CID 158545182

IUPACethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane
SMILESCC.CCCN.CNC.CNS(=O)[O-].NCN
InChIInChI=1S/C3H9N.C2H7N.C2H6.CH6N2.CH5NO2S/c1-2-3-4;1-3-2;1-2;2-1-3;1-2-5(3)4/h2-4H2,1H3;3H,1-2H3;1-2H3;1-3H2;2H,1H3,(H,3,4)/p-1
InChIKeyUKZFHIJHGMPZHX-UHFFFAOYSA-M
MW274.46 g/mol
LogP-0.92
Rot. Bonds2

About ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane

ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane (PubChem CID 158545182) has the molecular formula C9H32N5O2S- and a molecular weight of 274.46 g/mol. Its IUPAC name is ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane.

Molecular Properties

Compound Nameethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane
PubChem CID158545182
Molecular FormulaC9H32N5O2S-
Molecular Weight274.46 g/mol
Exact Mass274.23
IUPAC Nameethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane
SMILESCC.CCCN.CNC.CNS(=O)[O-].NCN
InChIInChI=1S/C3H9N.C2H7N.C2H6.CH6N2.CH5NO2S/c1-2-3-4;1-3-2;1-2;2-1-3;1-2-5(3)4/h2-4H2,1H3;3H,1-2H3;1-2H3;1-3H2;2H,1H3,(H,3,4)/p-1
InChIKeyUKZFHIJHGMPZHX-UHFFFAOYSA-M
XLogP-0.92
TPSA142.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.46
LogP ≤ 5-0.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane?
The IUPAC name of ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane (CID 158545182) is ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane.
What is the SMILES notation for ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane?
The canonical SMILES for ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane is CC.CCCN.CNC.CNS(=O)[O-].NCN.
What is the InChIKey of ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane?
The InChIKey is UKZFHIJHGMPZHX-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9N.C2H7N.C2H6.CH6N2.CH5NO2S/c1-2-3-4;1-3-2;1-2;2-1-3;1-2-5(3)4/h2-4H2,1H3;3H,1-2H3;1-2H3;1-3H2;2H,1H3,(H,3,4)/p-1.
What are the key properties of ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane?
ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane has a molecular weight of 274.46 g/mol, XLogP of -0.92, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane is sourced from PubChem (CID 158545182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).