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

C5H10N2O2S — CID 19864892

IUPAC(Z)-N-ethyl-1-methylsulfanyl-2-nitroethenamine
SMILESCCN/C(=C/[N+](=O)[O-])SC
InChIInChI=1S/C5H10N2O2S/c1-3-6-5(10-2)4-7(8)9/h4,6H,3H2,1-2H3/b5-4-
InChIKeyRCHLGFQVKQNCPN-PLNGDYQASA-N
MW162.21 g/mol
LogP1.03
Rot. Bonds4

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

(Z)-N-ethyl-1-methylsulfanyl-2-nitroethenamine (PubChem CID 19864892) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is (Z)-N-ethyl-1-methylsulfanyl-2-nitroethenamine.

Molecular Properties

Compound Name(Z)-N-ethyl-1-methylsulfanyl-2-nitroethenamine
PubChem CID19864892
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name(Z)-N-ethyl-1-methylsulfanyl-2-nitroethenamine
SMILESCCN/C(=C/[N+](=O)[O-])SC
InChIInChI=1S/C5H10N2O2S/c1-3-6-5(10-2)4-7(8)9/h4,6H,3H2,1-2H3/b5-4-
InChIKeyRCHLGFQVKQNCPN-PLNGDYQASA-N
XLogP1.03
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 51.03
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-ethyl-1-methylsulfanyl-2-nitroethenamine?
The IUPAC name of (Z)-N-ethyl-1-methylsulfanyl-2-nitroethenamine (CID 19864892) is (Z)-N-ethyl-1-methylsulfanyl-2-nitroethenamine.
What is the SMILES notation for (Z)-N-ethyl-1-methylsulfanyl-2-nitroethenamine?
The canonical SMILES for (Z)-N-ethyl-1-methylsulfanyl-2-nitroethenamine is CCN/C(=C/[N+](=O)[O-])SC.
What is the InChIKey of (Z)-N-ethyl-1-methylsulfanyl-2-nitroethenamine?
The InChIKey is RCHLGFQVKQNCPN-PLNGDYQASA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-3-6-5(10-2)4-7(8)9/h4,6H,3H2,1-2H3/b5-4-.
What are the key properties of (Z)-N-ethyl-1-methylsulfanyl-2-nitroethenamine?
(Z)-N-ethyl-1-methylsulfanyl-2-nitroethenamine has a molecular weight of 162.21 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-1-methylsulfanyl-2-nitroethenamine is sourced from PubChem (CID 19864892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).