[(2,2-dimethyl-1-pyrazol-1-ylpropylidene)amino] N-methyl-N-methylsulfanylcarbamate

C11H18N4O2S — CID 54070240

IUPAC[(2,2-dimethyl-1-pyrazol-1-ylpropylidene)amino] N-methyl-N-methylsulfanylcarbamate
SMILESCSN(C)C(=O)ON=C(n1cccn1)C(C)(C)C
InChIInChI=1S/C11H18N4O2S/c1-11(2,3)9(15-8-6-7-12-15)13-17-10(16)14(4)18-5/h6-8H,1-5H3
InChIKeyMFXUZOSDNCMUGO-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.44
Rot. Bonds2

About [(2,2-dimethyl-1-pyrazol-1-ylpropylidene)amino] N-methyl-N-methylsulfanylcarbamate

[(2,2-dimethyl-1-pyrazol-1-ylpropylidene)amino] N-methyl-N-methylsulfanylcarbamate (PubChem CID 54070240) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is [(2,2-dimethyl-1-pyrazol-1-ylpropylidene)amino] N-methyl-N-methylsulfanylcarbamate.

Molecular Properties

Compound Name[(2,2-dimethyl-1-pyrazol-1-ylpropylidene)amino] N-methyl-N-methylsulfanylcarbamate
PubChem CID54070240
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name[(2,2-dimethyl-1-pyrazol-1-ylpropylidene)amino] N-methyl-N-methylsulfanylcarbamate
SMILESCSN(C)C(=O)ON=C(n1cccn1)C(C)(C)C
InChIInChI=1S/C11H18N4O2S/c1-11(2,3)9(15-8-6-7-12-15)13-17-10(16)14(4)18-5/h6-8H,1-5H3
InChIKeyMFXUZOSDNCMUGO-UHFFFAOYSA-N
XLogP2.44
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2,2-dimethyl-1-pyrazol-1-ylpropylidene)amino] N-methyl-N-methylsulfanylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2,2-dimethyl-1-pyrazol-1-ylpropylidene)amino] N-methyl-N-methylsulfanylcarbamate?
The IUPAC name of [(2,2-dimethyl-1-pyrazol-1-ylpropylidene)amino] N-methyl-N-methylsulfanylcarbamate (CID 54070240) is [(2,2-dimethyl-1-pyrazol-1-ylpropylidene)amino] N-methyl-N-methylsulfanylcarbamate.
What is the SMILES notation for [(2,2-dimethyl-1-pyrazol-1-ylpropylidene)amino] N-methyl-N-methylsulfanylcarbamate?
The canonical SMILES for [(2,2-dimethyl-1-pyrazol-1-ylpropylidene)amino] N-methyl-N-methylsulfanylcarbamate is CSN(C)C(=O)ON=C(n1cccn1)C(C)(C)C.
What is the InChIKey of [(2,2-dimethyl-1-pyrazol-1-ylpropylidene)amino] N-methyl-N-methylsulfanylcarbamate?
The InChIKey is MFXUZOSDNCMUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-11(2,3)9(15-8-6-7-12-15)13-17-10(16)14(4)18-5/h6-8H,1-5H3.
What are the key properties of [(2,2-dimethyl-1-pyrazol-1-ylpropylidene)amino] N-methyl-N-methylsulfanylcarbamate?
[(2,2-dimethyl-1-pyrazol-1-ylpropylidene)amino] N-methyl-N-methylsulfanylcarbamate has a molecular weight of 270.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,2-dimethyl-1-pyrazol-1-ylpropylidene)amino] N-methyl-N-methylsulfanylcarbamate is sourced from PubChem (CID 54070240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).