N-[1-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-yl]nitramide

C6H12N4O2S — CID 10219883

IUPACN-[1-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-yl]nitramide
SMILESCSCCN1CCN=C1N[N+](=O)[O-]
InChIInChI=1S/C6H12N4O2S/c1-13-5-4-9-3-2-7-6(9)8-10(11)12/h2-5H2,1H3,(H,7,8)
InChIKeyZJAZVMHICCNNPB-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.20
Rot. Bonds4

About N-[1-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-yl]nitramide

N-[1-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-yl]nitramide (PubChem CID 10219883) has the molecular formula C6H12N4O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is N-[1-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-yl]nitramide.

Molecular Properties

Compound NameN-[1-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-yl]nitramide
PubChem CID10219883
Molecular FormulaC6H12N4O2S
Molecular Weight204.25 g/mol
Exact Mass204.07
IUPAC NameN-[1-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-yl]nitramide
SMILESCSCCN1CCN=C1N[N+](=O)[O-]
InChIInChI=1S/C6H12N4O2S/c1-13-5-4-9-3-2-7-6(9)8-10(11)12/h2-5H2,1H3,(H,7,8)
InChIKeyZJAZVMHICCNNPB-UHFFFAOYSA-N
XLogP-0.20
TPSA70.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 N-[1-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-yl]nitramide?
The IUPAC name of N-[1-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-yl]nitramide (CID 10219883) is N-[1-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-yl]nitramide.
What is the SMILES notation for N-[1-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-yl]nitramide?
The canonical SMILES for N-[1-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-yl]nitramide is CSCCN1CCN=C1N[N+](=O)[O-].
What is the InChIKey of N-[1-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-yl]nitramide?
The InChIKey is ZJAZVMHICCNNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S/c1-13-5-4-9-3-2-7-6(9)8-10(11)12/h2-5H2,1H3,(H,7,8).
What are the key properties of N-[1-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-yl]nitramide?
N-[1-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-yl]nitramide has a molecular weight of 204.25 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-yl]nitramide is sourced from PubChem (CID 10219883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).