(Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine

C4H8N2O2S — CID 2736798

IUPAC(Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine
SMILESCN/C(=C/[N+](=O)[O-])SC
InChIInChI=1S/C4H8N2O2S/c1-5-4(9-2)3-6(7)8/h3,5H,1-2H3/b4-3-
InChIKeyYQFHPXZGXNYYLD-ARJAWSKDSA-N
MW148.19 g/mol
LogP0.64
Rot. Bonds3

About (Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine

(Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine (PubChem CID 2736798) has the molecular formula C4H8N2O2S and a molecular weight of 148.19 g/mol. Its IUPAC name is (Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine.

Molecular Properties

Compound Name(Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine
PubChem CID2736798
Molecular FormulaC4H8N2O2S
Molecular Weight148.19 g/mol
Exact Mass148.03
IUPAC Name(Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine
SMILESCN/C(=C/[N+](=O)[O-])SC
InChIInChI=1S/C4H8N2O2S/c1-5-4(9-2)3-6(7)8/h3,5H,1-2H3/b4-3-
InChIKeyYQFHPXZGXNYYLD-ARJAWSKDSA-N
XLogP0.64
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine?
The IUPAC name of (Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine (CID 2736798) is (Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine.
What is the SMILES notation for (Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine?
The canonical SMILES for (Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine is CN/C(=C/[N+](=O)[O-])SC.
What is the InChIKey of (Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine?
The InChIKey is YQFHPXZGXNYYLD-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H8N2O2S/c1-5-4(9-2)3-6(7)8/h3,5H,1-2H3/b4-3-.
What are the key properties of (Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine?
(Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine has a molecular weight of 148.19 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-1-methylsulfanyl-2-nitroethenamine is sourced from PubChem (CID 2736798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).