(2Z)-1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine

C7H13N3O2S — CID 3037353

IUPAC(2Z)-1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine
SMILESCSCCN1CCN/C1=C/[N+](=O)[O-]
InChIInChI=1S/C7H13N3O2S/c1-13-5-4-9-3-2-8-7(9)6-10(11)12/h6,8H,2-5H2,1H3/b7-6-
InChIKeyMDEZYMCFWAWAPT-SREVYHEPSA-N
MW203.27 g/mol
LogP0.33
Rot. Bonds4

About (2Z)-1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine

(2Z)-1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine (PubChem CID 3037353) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is (2Z)-1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine.

Molecular Properties

Compound Name(2Z)-1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine
PubChem CID3037353
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name(2Z)-1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine
SMILESCSCCN1CCN/C1=C/[N+](=O)[O-]
InChIInChI=1S/C7H13N3O2S/c1-13-5-4-9-3-2-8-7(9)6-10(11)12/h6,8H,2-5H2,1H3/b7-6-
InChIKeyMDEZYMCFWAWAPT-SREVYHEPSA-N
XLogP0.33
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (2Z)-1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine?
The IUPAC name of (2Z)-1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine (CID 3037353) is (2Z)-1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine.
What is the SMILES notation for (2Z)-1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine?
The canonical SMILES for (2Z)-1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine is CSCCN1CCN/C1=C/[N+](=O)[O-].
What is the InChIKey of (2Z)-1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine?
The InChIKey is MDEZYMCFWAWAPT-SREVYHEPSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-13-5-4-9-3-2-8-7(9)6-10(11)12/h6,8H,2-5H2,1H3/b7-6-.
What are the key properties of (2Z)-1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine?
(2Z)-1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine has a molecular weight of 203.27 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine is sourced from PubChem (CID 3037353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).